 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_B3LYPDBJ-augccpVDZr.in
 Output=30_ibuprofen_conformer02_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-27156.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27158.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 09:40:14 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618122691 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5219260207 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:              18.1 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.69D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:18 2021, MaxMem=  6442450944 cpu:              11.7 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:19 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:21 2021, MaxMem=  6442450944 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.841673165576    
 DIIS: error= 2.05D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.841673165576     IErMin= 1 ErrMin= 2.05D-03
 ErrMax= 2.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-03 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.05D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.14D-02 MaxDP=1.05D+01              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.46D-02    CP:  2.17D+00
 E= -656.847443697095     Delta-E=       -0.005770531519 Rises=F Damp=F
 DIIS: error= 2.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.847443697095     IErMin= 2 ErrMin= 2.69D-04
 ErrMax= 2.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.69D-03
 Coeff-Com:  0.113D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.113D-01 0.989D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=3.03D-03 MaxDP=4.13D-01 DE=-5.77D-03 OVMax= 3.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.84D-04    CP:  2.21D+00  1.04D+00
 E= -656.847353646111     Delta-E=        0.000090050984 Rises=F Damp=F
 DIIS: error= 4.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.847443697095     IErMin= 2 ErrMin= 2.69D-04
 ErrMax= 4.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-04 BMatP= 1.13D-04
 IDIUse=3 WtCom= 3.27D-01 WtEn= 6.73D-01
 Coeff-Com: -0.777D-02 0.603D+00 0.405D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.254D-02 0.632D+00 0.371D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.58D-04 MaxDP=9.70D-03 DE= 9.01D-05 OVMax= 2.65D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.80D-05    CP:  2.21D+00  1.04D+00  9.19D-01
 E= -656.847538781280     Delta-E=       -0.000185135169 Rises=F Damp=F
 DIIS: error= 4.75D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.847538781280     IErMin= 4 ErrMin= 4.75D-05
 ErrMax= 4.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-06 BMatP= 1.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.486D-02 0.258D+00 0.165D+00 0.582D+00
 Coeff:     -0.486D-02 0.258D+00 0.165D+00 0.582D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=7.70D-05 MaxDP=7.73D-03 DE=-1.85D-04 OVMax= 8.47D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.89D-05    CP:  2.21D+00  1.04D+00  9.03D-01  1.21D+00
 E= -656.847540645270     Delta-E=       -0.000001863991 Rises=F Damp=F
 DIIS: error= 3.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.847540645270     IErMin= 5 ErrMin= 3.53D-05
 ErrMax= 3.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-06 BMatP= 3.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.533D-01 0.332D-01 0.402D+00 0.514D+00
 Coeff:     -0.180D-02 0.533D-01 0.332D-01 0.402D+00 0.514D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.55D-05 MaxDP=2.82D-03 DE=-1.86D-06 OVMax= 4.53D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.13D-05    CP:  2.21D+00  1.04D+00  9.03D-01  1.22D+00  9.70D-01
 E= -656.847541935720     Delta-E=       -0.000001290450 Rises=F Damp=F
 DIIS: error= 6.58D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.847541935720     IErMin= 6 ErrMin= 6.58D-06
 ErrMax= 6.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-08 BMatP= 1.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.546D-03 0.792D-02 0.551D-02 0.179D+00 0.290D+00 0.519D+00
 Coeff:     -0.546D-03 0.792D-02 0.551D-02 0.179D+00 0.290D+00 0.519D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.16D-06 MaxDP=4.47D-04 DE=-1.29D-06 OVMax= 7.70D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.50D-06    CP:  2.21D+00  1.04D+00  9.06D-01  1.21D+00  9.23D-01
                    CP:  1.08D+00
 E= -656.847542021586     Delta-E=       -0.000000085865 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.847542021586     IErMin= 7 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-09 BMatP= 9.91D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.812D-04-0.141D-02-0.326D-03 0.396D-01 0.766D-01 0.226D+00
 Coeff-Com:  0.659D+00
 Coeff:     -0.812D-04-0.141D-02-0.326D-03 0.396D-01 0.766D-01 0.226D+00
 Coeff:      0.659D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=8.94D-05 DE=-8.59D-08 OVMax= 2.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  2.21D+00  1.04D+00  9.07D-01  1.21D+00  9.30D-01
                    CP:  1.07D+00  8.11D-01
 E= -656.847542025318     Delta-E=       -0.000000003733 Rises=F Damp=F
 DIIS: error= 4.65D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.847542025318     IErMin= 8 ErrMin= 4.65D-07
 ErrMax= 4.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-10 BMatP= 4.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.144D-04-0.108D-02-0.394D-03 0.106D-01 0.237D-01 0.889D-01
 Coeff-Com:  0.347D+00 0.531D+00
 Coeff:     -0.144D-04-0.108D-02-0.394D-03 0.106D-01 0.237D-01 0.889D-01
 Coeff:      0.347D+00 0.531D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.99D-07 MaxDP=2.85D-05 DE=-3.73D-09 OVMax= 1.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.75D-07    CP:  2.21D+00  1.04D+00  9.07D-01  1.21D+00  9.31D-01
                    CP:  1.06D+00  8.58D-01  8.69D-01
 E= -656.847542025933     Delta-E=       -0.000000000615 Rises=F Damp=F
 DIIS: error= 2.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.847542025933     IErMin= 9 ErrMin= 2.25D-07
 ErrMax= 2.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-11 BMatP= 5.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.420D-05-0.435D-03-0.181D-03 0.491D-03 0.289D-02 0.199D-01
 Coeff-Com:  0.107D+00 0.320D+00 0.550D+00
 Coeff:      0.420D-05-0.435D-03-0.181D-03 0.491D-03 0.289D-02 0.199D-01
 Coeff:      0.107D+00 0.320D+00 0.550D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.84D-07 MaxDP=8.83D-06 DE=-6.15D-10 OVMax= 5.12D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.18D-07    CP:  2.21D+00  1.04D+00  9.07D-01  1.21D+00  9.30D-01
                    CP:  1.07D+00  8.42D-01  9.02D-01  8.10D-01
 E= -656.847542026039     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 5.97D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.847542026039     IErMin=10 ErrMin= 5.97D-08
 ErrMax= 5.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.81D-12 BMatP= 9.82D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-05-0.178D-03-0.740D-04-0.529D-03-0.310D-04 0.505D-02
 Coeff-Com:  0.367D-01 0.144D+00 0.313D+00 0.502D+00
 Coeff:      0.362D-05-0.178D-03-0.740D-04-0.529D-03-0.310D-04 0.505D-02
 Coeff:      0.367D-01 0.144D+00 0.313D+00 0.502D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=6.04D-08 MaxDP=5.79D-06 DE=-1.06D-10 OVMax= 1.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.93D-08    CP:  2.21D+00  1.04D+00  9.07D-01  1.21D+00  9.31D-01
                    CP:  1.06D+00  8.44D-01  9.07D-01  8.38D-01  9.01D-01
 E= -656.847542026077     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.847542026077     IErMin=11 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-13 BMatP= 7.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-05-0.338D-04-0.118D-04-0.298D-03-0.285D-03 0.258D-03
 Coeff-Com:  0.573D-02 0.307D-01 0.821D-01 0.216D+00 0.665D+00
 Coeff:      0.108D-05-0.338D-04-0.118D-04-0.298D-03-0.285D-03 0.258D-03
 Coeff:      0.573D-02 0.307D-01 0.821D-01 0.216D+00 0.665D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.38D-08 MaxDP=2.41D-06 DE=-3.75D-11 OVMax= 3.22D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  2.21D+00  1.04D+00  9.07D-01  1.21D+00  9.31D-01
                    CP:  1.07D+00  8.44D-01  9.11D-01  8.47D-01  9.15D-01
                    CP:  8.59D-01
 E= -656.847542026019     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 6.61D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.847542026077     IErMin=12 ErrMin= 6.61D-09
 ErrMax= 6.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-14 BMatP= 3.33D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-06-0.419D-05 0.140D-06-0.132D-03-0.161D-03-0.306D-03
 Coeff-Com:  0.108D-03 0.505D-02 0.204D-01 0.828D-01 0.407D+00 0.485D+00
 Coeff:      0.311D-06-0.419D-05 0.140D-06-0.132D-03-0.161D-03-0.306D-03
 Coeff:      0.108D-03 0.505D-02 0.204D-01 0.828D-01 0.407D+00 0.485D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.67D-09 MaxDP=3.85D-07 DE= 5.82D-11 OVMax= 1.46D-07

 SCF Done:  E(RB3LYP) =  -656.847542026     A.U. after   12 cycles
            NFock= 12  Conv=0.57D-08     -V/T= 2.0060
 KE= 6.529444965873D+02 PE=-3.468459415551D+03 EE= 1.188145450917D+03
 Leave Link  502 at Mon Sep 27 09:55:44 2021, MaxMem=  6442450944 cpu:            7382.6 elap:             923.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.95926459D+02

 Leave Link  801 at Mon Sep 27 09:55:45 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10262 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 3.39D-01 1.68D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.07D-02 9.35D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D-02 2.37D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 2.18D-03 1.35D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.82D-04 2.59D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 7.37D-06 4.53D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.02D-07 7.44D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 5.74D-09 1.24D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.63D-10 2.35D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.59D-12 2.46D-07.
      4 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 8.17D-14 2.91D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 5.30D-14 1.68D-08.
      1 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 1.46D-14 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   125 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.229539D+03
      2  0.101789D+02  0.145674D+03
      3  0.345876D+01 -0.950565D+01  0.148281D+03
 Isotropic polarizability for W=    0.088559      174.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.280496D+03 -0.299702D+02 -0.609695D+02
      2   0.135621D+03  0.333922D+02  0.374683D+02
      3   0.144876D+03 -0.342197D+01  0.235013D+02
      4   0.111758D+02 -0.890869D+02  0.968869D+01
      5  -0.106925D+02  0.110676D+02 -0.870769D+02
      6   0.153117D+02  0.378187D+02  0.188855D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.406182D+01  0.419610D+01 -0.435656D+01
      2  -0.384221D+02 -0.171132D+01 -0.480241D+02
      3  -0.823324D+01  0.459074D+02 -0.482650D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.137890D+01  0.350383D+00 -0.223075D+02
      2  -0.502770D+02 -0.562299D+01 -0.231953D+03
      3   0.411461D+02  0.224708D+03  0.424410D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.292418D+01  0.231568D+01  0.550227D+01
      2   0.231568D+01 -0.178809D+01 -0.376437D+00
      3   0.550227D+01 -0.376437D+00  0.223628D+01
 OR G Eigenvalues:    -7.2783    -1.0487     5.8510  Iso=     0.8253
 Eigenvectors:
   (1)   0.798082  -0.369264  -0.476140
   (2)   0.244557   0.920706  -0.304126
   (3)   0.550687   0.126274   0.825105
 w=    0.088559 a.u., Optical Rotation Beta=      0.8253 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      202.88 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.49D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.78D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.23D-02 2.66D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.48D-03 8.45D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 3.46D-05 9.63D-04.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 5.15D-07 1.08D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 6.18D-09 8.89D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.39D-11 6.99D-07.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 2.28D-13 4.48D-08.
      9 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.18D-14 8.83D-09.
      3 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 3.08D-15 5.24D-09.
      1 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 2.77D-15 2.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.85D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.85D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.32D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229539D+03  0.101789D+02  0.345876D+01
      2   0.101789D+02  0.145674D+03 -0.950565D+01
      3   0.345876D+01 -0.950565D+01  0.148281D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.406182D+01  0.419610D+01 -0.435656D+01
      2  -0.384221D+02 -0.171132D+01 -0.480241D+02
      3  -0.823324D+01  0.459074D+02 -0.482650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.280496D+03 -0.299702D+02 -0.609695D+02
      2   0.135621D+03  0.333922D+02  0.374683D+02
      3   0.144876D+03 -0.342197D+01  0.235013D+02
      4   0.111758D+02 -0.890869D+02  0.968869D+01
      5  -0.106925D+02  0.110676D+02 -0.870769D+02
      6   0.153117D+02  0.378187D+02  0.188855D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108175D+02  0.186809D+01  0.168445D+01 -0.337059D+01 -0.236742D+00
      2   0.186809D+01 -0.106176D+01  0.743827D+00 -0.236742D+00 -0.422961D+01
      3   0.168445D+01  0.743827D+00 -0.377461D+01 -0.243016D+01  0.803732D+00
                 6             7             8             9            10 
      1  -0.243016D+01  0.156497D+02  0.394726D+00  0.140735D+01 -0.338040D+02
      2   0.803732D+00  0.394726D+00 -0.134458D+01  0.150981D+01 -0.199979D+01
      3   0.713201D+00  0.140735D+01  0.150981D+01  0.135569D+01 -0.279192D+01
                11            12            13            14            15 
      1  -0.199979D+01 -0.279192D+01 -0.389150D+01 -0.427749D+01 -0.204340D+01
      2  -0.201926D+01  0.700805D+00 -0.427749D+01 -0.220943D+01 -0.641195D+00
      3   0.700805D+00 -0.280289D+01 -0.204340D+01 -0.641195D+00 -0.169310D+01
                16            17            18            19            20 
      1  -0.699476D+01 -0.223831D+01 -0.223846D+01 -0.137838D+02 -0.282576D+01
      2  -0.223831D+01 -0.661647D+00 -0.751376D+00 -0.282576D+01  0.280092D+01
      3  -0.223846D+01 -0.751376D+00 -0.118260D+01 -0.204786D+01 -0.186162D+01
                21            22            23            24            25 
      1  -0.204786D+01 -0.128480D+02 -0.126142D+00 -0.240905D+00  0.839603D+01
      2  -0.186162D+01 -0.126142D+00 -0.253104D+01  0.112245D+01  0.256076D+01
      3   0.980755D+00 -0.240905D+00  0.112245D+01  0.289547D+01 -0.302535D+00
                26            27            28            29            30 
      1   0.256076D+01 -0.302535D+00  0.309851D+02  0.393534D+01  0.327366D+01
      2   0.101793D+01  0.171951D+01  0.393534D+01  0.245263D+01  0.751544D-01
      3   0.171951D+01  0.302791D+01  0.327366D+01  0.751544D-01  0.283019D+01
                31            32            33            34            35 
      1   0.413614D+01  0.435378D+01  0.250469D+01  0.396459D+01  0.282695D+01
      2   0.435378D+01  0.185381D+01  0.143231D+01  0.282695D+01  0.169013D+01
      3   0.250469D+01  0.143231D+01  0.128443D+01  0.273574D+01 -0.542452D+00
                36            37            38            39            40 
      1   0.273574D+01 -0.973559D+01 -0.185659D+01 -0.209388D+01  0.438044D+01
      2  -0.542452D+00 -0.185659D+01  0.542063D+00 -0.138697D+00  0.103809D+01
      3   0.943838D+00 -0.209388D+01 -0.138697D+00  0.348413D+01  0.190189D+01
                41            42            43            44            45 
      1   0.103809D+01  0.190189D+01 -0.157800D+02 -0.168820D+01 -0.134672D+01
      2   0.394719D+01 -0.104146D+01 -0.168820D+01 -0.150431D+00 -0.897434D+00
      3  -0.104146D+01 -0.830630D+00 -0.134672D+01 -0.897434D+00 -0.182727D+01
                46            47            48            49            50 
      1   0.126685D+02  0.243452D+01  0.171836D+01  0.120402D+02 -0.499768D+00
      2   0.243452D+01 -0.174900D+01  0.936790D+00 -0.499768D+00  0.222556D+01
      3   0.171836D+01  0.936790D+00 -0.350945D+00  0.117279D+01 -0.160168D+01
                51            52            53            54            55 
      1   0.117279D+01 -0.829532D+01 -0.174373D+01  0.328728D+00  0.213049D+02
      2  -0.160168D+01 -0.174373D+01 -0.975689D+00 -0.144877D+01 -0.966648D+00
      3  -0.252621D+01  0.328728D+00 -0.144877D+01 -0.282400D+01  0.260889D+00
                56            57            58            59            60 
      1  -0.966648D+00  0.260889D+00 -0.524296D+01  0.541360D+01  0.100174D+01
      2   0.256105D+01  0.511132D+00  0.541360D+01  0.608642D+01 -0.236963D+00
      3   0.511132D+00  0.118374D+01  0.100174D+01 -0.236963D+00 -0.116226D+01
                61            62            63            64            65 
      1  -0.766029D+01  0.123825D+01  0.264063D+01 -0.413090D+01  0.464532D+01
      2   0.123825D+01 -0.195187D+01 -0.390792D+00  0.464532D+01 -0.223721D+01
      3   0.264063D+01 -0.390792D+00  0.597477D+01  0.118596D+01 -0.532213D+00
                66            67            68            69            70 
      1   0.118596D+01  0.136473D+02 -0.356686D+01 -0.440226D+00  0.104331D+02
      2  -0.532213D+00 -0.356686D+01 -0.534749D+01  0.632142D+00 -0.677419D+00
      3  -0.236557D+01 -0.440226D+00  0.632142D+00  0.193820D+01 -0.346612D+01
                71            72            73            74            75 
      1  -0.677419D+00 -0.346612D+01 -0.343396D+01 -0.393932D+01 -0.232755D+01
      2   0.172633D+01  0.194641D+01 -0.393932D+01  0.183653D+01  0.736621D+00
      3   0.194641D+01 -0.782342D+01 -0.232755D+01  0.736621D+00  0.273280D+01
                76            77            78            79            80 
      1  -0.673068D+01  0.386584D+01  0.982190D+00 -0.490406D+01  0.898508D+00
      2   0.386584D+01  0.616406D+01 -0.218383D+01  0.898508D+00 -0.248771D+01
      3   0.982190D+00 -0.218383D+01 -0.174719D+01  0.463496D+01 -0.130013D+01
                81            82            83            84            85 
      1   0.463496D+01 -0.348408D+01 -0.465344D+01 -0.286412D+01 -0.555050D+01
      2  -0.130013D+01 -0.465344D+01  0.216646D+01  0.942634D+00  0.237141D+01
      3   0.512897D+01 -0.286412D+01  0.942634D+00  0.188477D+01  0.887779D+00
                86            87            88            89            90 
      1   0.237141D+01  0.887779D+00 -0.458374D+01  0.104575D+01  0.284858D+01
      2   0.289014D+01 -0.144734D+01  0.104575D+01 -0.253003D+01 -0.338499D+01
      3  -0.144734D+01 -0.225984D+01  0.284858D+01 -0.338499D+01  0.488476D+01
                91            92            93            94            95 
      1  -0.682816D+01  0.815147D+00 -0.935290D-01  0.572548D+00 -0.574384D+01
      2   0.815147D+00 -0.267556D+01 -0.103869D+01 -0.574384D+01 -0.412085D+01
      3  -0.935290D-01 -0.103869D+01 -0.164162D+01 -0.306657D+01 -0.278780D+01
                96            97            98            99           100 
      1  -0.306657D+01  0.544649D+01 -0.241337D+01 -0.331424D+01 -0.268663D+01
      2  -0.278780D+01 -0.241337D+01 -0.745287D+00  0.310644D+01 -0.201214D+01
      3   0.178352D+01 -0.331424D+01  0.310644D+01 -0.173223D+01  0.109069D+01
               101           102           103           104           105 
      1  -0.201214D+01  0.109069D+01 -0.487381D+01  0.903188D+00  0.395918D+01
      2   0.291345D+00  0.151904D+01  0.903188D+00  0.335116D+00 -0.169884D+00
      3   0.151904D+01  0.693999D+00  0.395918D+01 -0.169884D+00 -0.432157D+01
               106           107           108           109           110 
      1   0.336826D+01  0.227677D+01 -0.728118D+00  0.585672D+01  0.240865D+01
      2   0.227677D+01 -0.852317D-01 -0.289506D+01  0.240865D+01  0.127751D+01
      3  -0.728118D+00 -0.289506D+01  0.157589D+01 -0.343068D+01 -0.987276D+00
               111           112           113           114           115 
      1  -0.343068D+01  0.707802D+01  0.191124D+01 -0.241227D+01 -0.101640D+02
      2  -0.987276D+00  0.191124D+01  0.409390D+01 -0.181295D+01 -0.133345D+01
      3   0.144064D+01 -0.241227D+01 -0.181295D+01  0.315754D+01  0.407238D+01
               116           117           118           119           120 
      1  -0.133345D+01  0.407238D+01 -0.692149D+00  0.321961D+00  0.235534D+01
      2  -0.266724D+01  0.237705D+01  0.321961D+00 -0.174390D+01 -0.187428D+01
      3   0.237705D+01 -0.684528D+01  0.235534D+01 -0.187428D+01 -0.177047D+01
               121           122           123           124           125 
      1  -0.355279D+01  0.253457D-01 -0.203188D+01  0.510577D+01 -0.356933D+01
      2   0.253457D-01 -0.401688D+01  0.181024D+01 -0.356933D+01  0.401752D+01
      3  -0.203188D+01  0.181024D+01  0.139922D+01 -0.182028D+01  0.987933D+00
               126           127           128           129           130 
      1  -0.182028D+01 -0.351567D+01 -0.196205D+01  0.185697D+01 -0.216622D+01
      2   0.987933D+00 -0.196205D+01 -0.179119D+01  0.145609D+01 -0.176727D+01
      3   0.314568D+01  0.185697D+01  0.145609D+01 -0.148390D+01  0.191367D+01
               131           132           133           134           135 
      1  -0.176727D+01  0.191367D+01  0.234508D+01  0.163735D+01 -0.206472D+01
      2  -0.227884D+01  0.195581D+01  0.163735D+01  0.253393D+01 -0.248110D+01
      3   0.195581D+01 -0.249446D+01 -0.206472D+01 -0.248110D+01  0.342582D+01
               136           137           138           139           140 
      1   0.191936D+01 -0.615698D+00  0.211335D+01 -0.671594D+00  0.389213D+00
      2  -0.615698D+00  0.382258D+00 -0.688594D+00  0.389213D+00 -0.118923D+01
      3   0.211335D+01 -0.688594D+00  0.235603D+01 -0.932807D+00  0.142164D+01
               141           142           143           144           145 
      1  -0.932807D+00  0.194222D+01 -0.124123D+01  0.267704D+01  0.361161D+01
      2   0.142164D+01 -0.124123D+01  0.187162D+01 -0.284124D+01  0.150705D+01
      3  -0.319928D+01  0.267704D+01 -0.284124D+01  0.672364D+01 -0.151072D+01
               146           147           148           149           150 
      1   0.150705D+01 -0.151072D+01  0.175292D+01  0.122152D+01 -0.150754D+01
      2   0.120454D+01 -0.870777D+00  0.122152D+01  0.143872D+01 -0.135746D+01
      3  -0.870777D+00  0.130392D+01 -0.150754D+01 -0.135746D+01  0.206196D+01
               151           152           153           154           155 
      1  -0.207178D+01 -0.130687D+01  0.190712D+01 -0.174535D+01  0.591735D+00
      2  -0.130687D+01 -0.191426D+01  0.188549D+01  0.591735D+00 -0.230423D+00
      3   0.190712D+01  0.188549D+01 -0.323828D+01 -0.190207D+01  0.504840D+00
               156           157           158           159           160 
      1  -0.190207D+01  0.343338D+00 -0.280205D+00  0.691195D+00 -0.232357D+01
      2   0.504840D+00 -0.280205D+00  0.789219D+00 -0.113647D+01  0.109082D+01
      3  -0.215472D+01  0.691195D+00 -0.113647D+01  0.282892D+01 -0.265417D+01
               161           162           163           164           165 
      1   0.109082D+01 -0.265417D+01 -0.373408D+01 -0.170110D+01  0.151480D+00
      2  -0.145555D+01  0.227646D+01 -0.170110D+01 -0.178266D+01 -0.285789D+00
      3   0.227646D+01 -0.665957D+01  0.151480D+00 -0.285789D+00 -0.212262D+00
               166           167           168           169           170 
      1  -0.482577D+01 -0.350024D+01 -0.537510D+00  0.445377D+01  0.401901D+00
      2  -0.350024D+01 -0.859455D+01 -0.485975D+00  0.401901D+00  0.114488D+01
      3  -0.537510D+00 -0.485975D+00 -0.715300D+00 -0.488925D+00 -0.873448D+00
               171           172           173           174           175 
      1  -0.488925D+00 -0.114218D+01  0.287760D+00 -0.127752D+01  0.262536D+01
      2  -0.873448D+00  0.287760D+00 -0.459772D+00 -0.204395D+00 -0.690139D+00
      3  -0.276251D+00 -0.127752D+01 -0.204395D+00 -0.124048D+01  0.332290D+00
               176           177           178           179           180 
      1  -0.690139D+00  0.332290D+00 -0.309097D+01 -0.207248D+00 -0.218736D+01
      2  -0.386707D+00 -0.753582D+00 -0.207248D+00 -0.956618D+00 -0.797581D+00
      3  -0.753582D+00  0.863329D+00 -0.218736D+01 -0.797581D+00 -0.698761D+01
               181           182           183           184           185 
      1   0.111061D+01 -0.106707D+01  0.104242D+01 -0.217076D+01  0.304296D+00
      2  -0.106707D+01  0.410344D+00  0.491629D-01  0.304296D+00  0.815789D-01
      3   0.104242D+01  0.491629D-01  0.709280D+00 -0.142733D+00  0.866093D+00
               186           187           188           189           190 
      1  -0.142733D+00  0.187910D+01 -0.394970D-01  0.430920D+00 -0.939623D+00
      2   0.866093D+00 -0.394970D-01  0.126975D+01 -0.860643D+00 -0.122995D+01
      3  -0.891978D+00  0.430920D+00 -0.860643D+00  0.737849D+01  0.472102D+00
               191           192           193           194           195 
      1  -0.122995D+01  0.472102D+00 -0.346503D+01 -0.357864D+01  0.364303D+00
      2  -0.129747D+01  0.163948D+00 -0.357864D+01 -0.831959D+01  0.117308D+01
      3   0.163948D+00 -0.460603D+00  0.364303D+00  0.117308D+01 -0.111222D+01
               196           197           198           199           200 
      1   0.119666D+01  0.511441D+00 -0.115290D+01 -0.171437D+01  0.332985D+00
      2   0.511441D+00  0.157875D+01 -0.101134D+01  0.332985D+00 -0.392799D+00
      3  -0.115290D+01 -0.101134D+01  0.260785D+00 -0.125370D+01 -0.187385D-01
               201           202           203           204           205 
      1  -0.125370D+01  0.118956D+01 -0.954916D+00  0.283864D+00 -0.394767D+01
      2  -0.187385D-01 -0.954916D+00 -0.283996D+00 -0.637121D+00 -0.256621D+00
      3  -0.147712D+01  0.283864D+00 -0.637121D+00  0.779696D+00 -0.345668D+01
               206           207           208           209           210 
      1  -0.256621D+00 -0.345668D+01 -0.750255D+01  0.214362D+01  0.249536D+01
      2  -0.109909D+01  0.190334D+00  0.214362D+01 -0.143666D+01 -0.793970D+00
      3   0.190334D+00 -0.671417D+01  0.249536D+01 -0.793970D+00 -0.173579D+01
               211           212           213           214           215 
      1   0.566008D+01 -0.243833D+01 -0.135355D+01  0.545153D+01 -0.108574D+01
      2  -0.243833D+01  0.139952D+01  0.117368D+01 -0.108574D+01  0.145711D+01
      3  -0.135355D+01  0.117368D+01  0.136432D+01 -0.295832D+01  0.102202D+01
               216           217           218           219           220 
      1  -0.295832D+01 -0.442595D+01  0.341323D+01  0.180007D+01  0.262304D+01
      2   0.102202D+01  0.341323D+01 -0.340458D+01 -0.119640D+01 -0.310637D+01
      3   0.178112D+01  0.180007D+01 -0.119640D+01 -0.145140D+01 -0.120989D+01
               221           222           223           224           225 
      1  -0.310637D+01 -0.120989D+01  0.304001D+01 -0.201966D+01 -0.198465D+01
      2   0.410583D+01  0.174358D+01 -0.201966D+01  0.298144D+01  0.212381D+01
      3   0.174358D+01  0.138765D+01 -0.198465D+01  0.212381D+01  0.172071D+01
               226           227           228           229           230 
      1  -0.471314D+00  0.942097D+00 -0.779467D+00  0.711811D+00 -0.582302D+00
      2   0.942097D+00 -0.748214D+00  0.250907D+00 -0.582302D+00  0.117015D+01
      3  -0.779467D+00  0.250907D+00 -0.109311D+01  0.187283D+00 -0.100962D+01
               231           232           233           234           235 
      1   0.187283D+00 -0.167663D+01  0.710524D+00 -0.150042D+01  0.829861D+01
      2  -0.100962D+01  0.710524D+00 -0.243986D+01  0.239595D+01  0.133374D+01
      3   0.113520D+01 -0.150042D+01  0.239595D+01 -0.621582D+01  0.117650D+01
               236           237           238           239           240 
      1   0.133374D+01  0.117650D+01  0.113133D+01  0.132298D+01  0.185935D+00
      2   0.248441D+01  0.321624D+00  0.132298D+01  0.139114D+01  0.437379D+00
      3   0.321624D+00  0.708555D+00  0.185935D+00  0.437379D+00  0.687847D+00
               241           242           243           244           245 
      1   0.117862D+01  0.360757D+00  0.348418D+00 -0.359252D+00 -0.111754D+01
      2   0.360757D+00  0.810121D+00  0.910420D+00 -0.111754D+01  0.560107D+00
      3   0.348418D+00  0.910420D+00  0.157143D+00  0.120936D+01 -0.240942D+00
               246           247           248           249           250 
      1   0.120936D+01 -0.196655D+01  0.969698D+00 -0.459399D+00  0.210097D+01
      2  -0.240942D+00  0.969698D+00 -0.138574D+01  0.150975D+01 -0.211288D+00
      3   0.111133D+01 -0.459399D+00  0.150975D+01 -0.196958D+01  0.202255D+01
               251           252           253           254           255 
      1  -0.211288D+00  0.202255D+01 -0.874626D+01 -0.454936D+01 -0.450287D+01
      2   0.183458D+01 -0.157563D+01 -0.454936D+01  0.100268D+01  0.363447D+00
      3  -0.157563D+01  0.529766D+01 -0.450287D+01  0.363447D+00  0.169588D+01
               256           257           258           259           260 
      1   0.206532D+01  0.397873D+01  0.136168D+01 -0.388702D+01  0.642697D+00
      2   0.397873D+01  0.438750D+01  0.240829D+01  0.642697D+00  0.145323D+01
      3   0.136168D+01  0.240829D+01 -0.173667D+01  0.197526D+01 -0.323424D+01
               261           262           263           264           265 
      1   0.197526D+01  0.432721D+01 -0.314301D+01 -0.203328D+01 -0.193943D+01
      2  -0.323424D+01 -0.314301D+01  0.283599D+01  0.143244D+01  0.231217D+01
      3   0.240267D-01 -0.203328D+01  0.143244D+01  0.176713D+01  0.113841D+01
               266           267           268           269           270 
      1   0.231217D+01  0.113841D+01 -0.411926D+01  0.330166D+01  0.322197D+01
      2  -0.340849D+01 -0.131146D+01  0.330166D+01 -0.367110D+01 -0.273550D+01
      3  -0.131146D+01 -0.133863D+01  0.322197D+01 -0.273550D+01 -0.329798D+01
               271           272           273           274           275 
      1  -0.144567D+01  0.125030D+01  0.174195D+01  0.542757D+00 -0.812505D+00
      2   0.125030D+01 -0.216929D+01 -0.148149D+01 -0.812505D+00  0.172225D+01
      3   0.174195D+01 -0.148149D+01 -0.226187D+01 -0.553799D+00  0.124024D+01
               276           277           278           279           280 
      1  -0.553799D+00  0.205440D+01 -0.531990D+00 -0.114386D+01  0.442369D+00
      2   0.124024D+01 -0.531990D+00  0.234442D+01  0.267564D+01  0.728135D+00
      3   0.149816D+01 -0.114386D+01  0.267564D+01  0.426260D+01 -0.283749D+00
               281           282           283           284           285 
      1   0.728135D+00 -0.283749D+00  0.851262D+00  0.223174D-02 -0.412731D-01
      2  -0.690228D+00  0.803062D-01  0.223174D-02  0.301213D+01 -0.161287D+01
      3   0.803062D-01 -0.441232D+00 -0.412731D-01 -0.161287D+01  0.177843D+01
               286           287           288           289           290 
      1  -0.161111D+01 -0.508178D+00 -0.409176D+00  0.129790D+02  0.467978D+01
      2  -0.508178D+00 -0.342459D+01  0.165604D+01  0.467978D+01  0.308112D+01
      3  -0.409176D+00  0.165604D+01 -0.290510D+01  0.356400D+01  0.142509D+01
               291           292           293           294           295 
      1   0.356400D+01  0.191471D+01  0.177846D+01  0.535033D+00  0.310389D+01
      2   0.142509D+01  0.177846D+01  0.120821D+01  0.497233D+00  0.117327D+01
      3   0.183543D+01  0.535033D+00  0.497233D+00  0.441809D+00  0.196602D+01
               296           297 
      1   0.117327D+01  0.196602D+01
      2   0.829017D+00  0.123840D+01
      3   0.123840D+01  0.146009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188669D+01 -0.101471D+01 -0.266437D+01 -0.709052D+01 -0.158109D+01
      2   0.292466D+01 -0.214773D+01  0.236090D+01 -0.617007D+01  0.172305D+01
      3  -0.656246D+01 -0.394367D+01  0.118652D+00  0.113926D+02 -0.121161D+01
                 6             7             8             9            10 
      1  -0.388938D+01 -0.520770D+01  0.259313D+01 -0.648234D+00 -0.705644D+00
      2  -0.123833D+01 -0.452191D+01 -0.139704D+01  0.123533D-02  0.528602D+01
      3   0.309336D+01 -0.367839D+01 -0.138576D+01  0.349327D+01  0.138840D+02
                11            12            13            14            15 
      1  -0.173272D+01  0.134505D+01 -0.584527D+01  0.498449D+01 -0.712606D+01
      2   0.118507D+01 -0.373489D+01  0.820434D+01  0.302488D+01 -0.261521D+01
      3   0.156211D+01  0.818211D+00  0.163494D+02  0.136770D+01  0.130787D+01
                16            17            18            19            20 
      1   0.786664D+01  0.392259D+00 -0.562430D+01 -0.164201D+01  0.154323D+01
      2  -0.230339D+02 -0.237571D+01  0.112367D+01  0.630800D+00 -0.238772D+01
      3  -0.461495D+01  0.114090D+01 -0.133329D+01  0.203649D+01 -0.535781D+00
                21            22            23            24            25 
      1  -0.808695D+00  0.424875D+01  0.106341D+01  0.174452D+00  0.306895D+01
      2   0.826146D+01  0.385590D+01 -0.327509D+01  0.328962D+01 -0.914027D+01
      3   0.355134D+01  0.123141D+02  0.347592D+01  0.888152D+00  0.243699D+01
                26            27            28            29            30 
      1   0.360309D+01  0.410722D+01  0.116415D+01 -0.170478D+01  0.479115D+01
      2   0.234800D+00  0.210645D+00 -0.568993D+01  0.107559D+01 -0.340180D+01
      3  -0.268151D+00 -0.242084D+01 -0.134142D+02 -0.219781D+01 -0.316939D+01
                31            32            33            34            35 
      1  -0.166039D+01  0.541526D+01 -0.561449D+01  0.958790D+01  0.237410D+01
      2   0.693294D+01  0.299948D+01 -0.409840D+01 -0.237801D+02 -0.693193D+01
      3   0.154834D+02  0.140083D+01 -0.172030D+01 -0.110209D+02 -0.610718D+00
                36            37            38            39            40 
      1  -0.415891D+01  0.741050D+00 -0.150293D+01  0.417288D+00 -0.504123D+01
      2  -0.413681D+01  0.899141D+01 -0.841294D+00  0.318224D+01 -0.794622D+01
      3  -0.120763D+01  0.378011D+01 -0.170951D+01  0.287898D+01  0.935948D+01
                41            42            43            44            45 
      1  -0.272035D+01 -0.349458D+01 -0.423317D+01  0.142724D+01 -0.257441D+01
      2   0.114453D+01 -0.222183D+01  0.207515D+01 -0.235282D+00  0.322984D+00
      3  -0.781436D+00  0.289336D+01  0.950639D+01  0.141671D+01  0.526649D+01
                46            47            48            49            50 
      1  -0.375850D+00  0.284365D+01 -0.130191D+01  0.646800D+01  0.479077D+00
      2  -0.468049D+01 -0.378445D+01  0.841120D+01 -0.668957D+01 -0.353187D+01
      3  -0.129230D+02 -0.337558D+01  0.186260D+01  0.630379D+01  0.133697D+01
                51            52            53            54            55 
      1  -0.198520D+01  0.275139D+01  0.283022D+01  0.100215D+01 -0.220020D+01
      2   0.482155D+01 -0.547412D+01  0.798539D+00 -0.112466D+01  0.424085D+01
      3  -0.129744D+01  0.989263D+01  0.855471D+00 -0.210376D+01 -0.174004D+02
                56            57            58            59            60 
      1   0.492391D+00 -0.314904D+00  0.114886D+00 -0.696517D+01 -0.271321D+01
      2  -0.185978D+01  0.656442D+00 -0.370796D+01  0.613729D+01  0.388032D+01
      3   0.689060D+01  0.198996D+01  0.303757D+02  0.147245D+02 -0.119553D+01
                61            62            63            64            65 
      1   0.855680D+00  0.224453D+01  0.667274D+01  0.233154D+01 -0.389475D+00
      2  -0.213772D+02  0.304628D+01 -0.223040D+02 -0.110348D+02  0.245648D+01
      3   0.108338D+02 -0.687296D+01 -0.516008D+01  0.283943D+02 -0.133677D+02
                66            67            68            69            70 
      1   0.885164D+00  0.132253D+01 -0.678014D+00 -0.257455D+01 -0.124645D+01
      2   0.117032D+02  0.471854D+01 -0.532715D+01 -0.667579D+01  0.128236D+02
      3  -0.232281D+01 -0.152534D+02 -0.212443D+02  0.295871D+01 -0.102158D+02
                71            72            73            74            75 
      1   0.384664D+01  0.152666D+01 -0.905284D+00 -0.303860D+00  0.124427D+01
      2  -0.979429D+01  0.369236D+02  0.148986D+02 -0.407002D+01 -0.143544D+02
      3   0.672819D+01  0.979905D+01 -0.199496D+02  0.113698D+02  0.547838D+01
                76            77            78            79            80 
      1  -0.122348D+01 -0.194862D+01 -0.184043D+01  0.223632D+01  0.132835D+01
      2  -0.576353D+01  0.139331D+02  0.857629D+01 -0.314758D+02  0.706459D+01
      3   0.307763D+02  0.352135D+02 -0.131831D+02  0.725458D+01 -0.143660D+02
                81            82            83            84            85 
      1   0.217408D+01  0.521177D+01 -0.197091D+01 -0.442200D+01 -0.240860D+01
      2  -0.296573D+02  0.106092D+02 -0.456906D+01 -0.576798D+01 -0.508798D+01
      3  -0.102800D+02 -0.302543D+02 -0.454093D+01 -0.168697D+01  0.121855D+01
                86            87            88            89            90 
      1   0.553699D+01  0.363075D+01 -0.684857D+01  0.100398D+02 -0.954755D+01
      2   0.572458D+01  0.871223D+01 -0.137885D+02  0.129045D+02 -0.193377D+02
      3   0.148812D+02 -0.380034D+01 -0.167011D+01 -0.714511D+01 -0.950296D+01
                91            92            93            94            95 
      1  -0.153276D+01 -0.238242D+01  0.759189D+00 -0.443212D+01 -0.244105D+01
      2   0.124114D+02 -0.297277D+01 -0.706251D-01 -0.105223D+02 -0.468712D+01
      3  -0.803516D+01  0.373251D+01  0.318759D+01  0.267492D+02  0.114979D+02
                96            97            98            99           100 
      1  -0.703028D+01  0.374772D+01  0.190167D+01  0.437215D+01  0.230189D+01
      2   0.927283D+01 -0.261561D+02  0.115105D+02 -0.395010D+01 -0.207523D+02
      3   0.859769D+01  0.106389D+02  0.404125D+01 -0.115917D+02  0.183641D+02
               101           102           103           104           105 
      1   0.758074D+01 -0.116968D+01  0.249622D+01  0.607356D+01  0.216894D+01
      2   0.774241D+01  0.536962D+01  0.130569D+02 -0.280730D+00 -0.124718D+02
      3  -0.584224D+01 -0.580553D+01 -0.109434D+01 -0.401757D+01 -0.254539D+01
               106           107           108           109           110 
      1  -0.334943D+01 -0.920950D-01 -0.319997D+01 -0.212493D+01 -0.479979D+01
      2  -0.933455D+01 -0.101907D+02  0.186952D+02 -0.462429D+01 -0.359246D+01
      3  -0.195359D+01 -0.119518D+02  0.867230D+01 -0.103686D+02 -0.834430D+01
               111           112           113           114           115 
      1  -0.731640D+00 -0.100669D+01 -0.571027D+01 -0.295521D+01 -0.187299D+00
      2   0.819673D+01 -0.876220D+01 -0.825498D+01  0.119318D+02  0.133257D+02
      3   0.380386D+01 -0.167346D+01 -0.161745D+02  0.702316D+01 -0.405690D+01
               116           117           118           119           120 
      1   0.846313D+01  0.553351D+00  0.324309D+01 -0.140526D+01 -0.675070D+00
      2   0.105021D+02 -0.315470D+02  0.113244D+02 -0.805426D+01 -0.392076D+01
      3   0.151864D+02 -0.860121D+01 -0.199299D+01  0.393397D+01  0.471360D+01
               121           122           123           124           125 
      1   0.160272D+01  0.121045D+01 -0.628562D+01 -0.332588D+01  0.304137D+01
      2  -0.289600D+01  0.688738D+01  0.248780D+01 -0.732429D+01  0.361092D+01
      3   0.401657D+01  0.174713D+02 -0.614095D+01  0.955956D+01 -0.112012D+02
               126           127           128           129           130 
      1   0.612649D+01  0.241534D+00 -0.180524D+01 -0.885427D+00  0.958443D+00
      2   0.120898D+02  0.553715D+01  0.127060D+01  0.761763D-01  0.153547D+01
      3  -0.702080D+00  0.451282D+01 -0.425700D+00 -0.951296D+00  0.417879D+01
               131           132           133           134           135 
      1  -0.215744D+00 -0.332803D+01 -0.564183D+00  0.188362D+01  0.170724D+01
      2   0.532601D+00  0.439284D+00 -0.300654D+01 -0.663812D-01 -0.153844D+01
      3  -0.117688D+01 -0.508999D+00 -0.160256D+01  0.160671D+01  0.626372D-01
               136           137           138           139           140 
      1   0.150771D+01  0.976315D+00  0.219625D+01 -0.423601D+00 -0.751626D+00
      2  -0.348715D+01  0.279533D+00 -0.782639D+00  0.359839D+00  0.818897D-01
      3  -0.315757D+01 -0.385174D+00 -0.179971D+01  0.147261D+01  0.719495D+00
               141           142           143           144           145 
      1  -0.289597D+01  0.563030D+00  0.308761D+01  0.227979D+01 -0.131740D+01
      2  -0.118818D+01 -0.440259D+01  0.124611D+00  0.101060D+01  0.646761D+01
      3   0.574309D+00 -0.255353D+01 -0.750597D+00 -0.166362D+01  0.331401D+01
               146           147           148           149           150 
      1  -0.258437D+01 -0.304289D+00 -0.878947D+00 -0.131012D+01 -0.194209D+01
      2   0.152662D+01 -0.364859D+00  0.350921D+01  0.668678D+00  0.399928D+00
      3  -0.727241D+00 -0.484853D+00  0.275989D+01 -0.997554D+00 -0.474151D-02
               151           152           153           154           155 
      1   0.231321D+00  0.267593D+01  0.212375D+00 -0.355286D+00  0.130604D+01
      2  -0.240704D+01 -0.346142D+00 -0.109944D+01 -0.391357D+01  0.573028D+00
      3  -0.704013D+00  0.223847D+01 -0.240717D+00 -0.129657D+01 -0.508143D+00
               156           157           158           159           160 
      1   0.566006D+00  0.964351D-01 -0.126403D+01 -0.911976D+00 -0.147649D+01
      2  -0.581655D+00  0.328686D+00  0.250874D+00 -0.133955D+01 -0.491209D+01
      3  -0.335084D+00  0.104607D+01  0.653862D+00 -0.223653D+00 -0.612310D+00
               161           162           163           164           165 
      1   0.445288D+01 -0.135902D+01  0.107738D+01  0.108371D+01 -0.885096D+00
      2   0.143013D+00  0.183227D+01 -0.363510D+01 -0.455796D+00  0.205617D+01
      3  -0.143127D+01  0.480725D-01 -0.159028D+01 -0.551026D+01 -0.922561D+00
               166           167           168           169           170 
      1   0.162799D+01  0.575353D+01 -0.310813D+01 -0.939946D+00 -0.104768D+01
      2  -0.149086D+01 -0.227496D+01  0.261527D+01  0.150743D+01  0.261617D+01
      3  -0.334850D+01 -0.236856D+02 -0.153140D+01 -0.269763D+01  0.357528D+01
               171           172           173           174           175 
      1   0.160981D+00 -0.153503D+01  0.590852D+00 -0.957583D+00 -0.163205D+00
      2   0.123581D+01  0.419101D+01  0.753383D+00  0.495036D+01  0.964089D+00
      3  -0.158027D+01  0.283115D+01 -0.273136D+01  0.713553D+00 -0.211001D+01
               176           177           178           179           180 
      1  -0.568811D+00  0.140246D+00 -0.185937D+01  0.305931D+01 -0.740287D+01
      2   0.148196D+01 -0.315511D+01  0.918885D+00  0.219563D+01  0.213239D+02
      3  -0.607933D+00 -0.224699D+01  0.211078D+01 -0.343672D+01  0.734788D+00
               181           182           183           184           185 
      1  -0.185559D+01  0.873684D+00 -0.166577D+00  0.372030D+00 -0.167384D+00
      2  -0.752912D+01  0.706769D+00 -0.345452D+01  0.247638D+01 -0.403751D+01
      3  -0.513991D+01  0.139893D+01 -0.247010D+00  0.404779D+01  0.323371D+00
               186           187           188           189           190 
      1  -0.629389D+00 -0.782513D+00  0.347314D+01 -0.119668D+01  0.120284D+00
      2   0.427980D+01 -0.770694D+01  0.423124D+01 -0.316464D+02 -0.275824D+01
      3   0.368899D+01 -0.639589D+00  0.496607D+01 -0.391411D+01 -0.662901D+01
               191           192           193           194           195 
      1   0.626480D-01 -0.660443D+00  0.296514D+00  0.370404D+00 -0.348848D+01
      2  -0.809413D+00  0.312381D+01 -0.170780D+01 -0.717486D+01  0.722455D+01
      3  -0.780218D+01  0.575932D+00 -0.139116D+02 -0.453503D+02  0.652716D+01
               196           197           198           199           200 
      1  -0.583565D+00  0.395669D+00  0.452192D+00 -0.701414D+00  0.477965D+00
      2   0.483210D+01  0.542303D+01 -0.130274D+01  0.734255D+01  0.159291D+00
      3   0.181364D+01  0.887712D+01 -0.454388D+01  0.269075D+01 -0.332438D+01
               201           202           203           204           205 
      1  -0.913216D+00  0.133860D+00 -0.463811D+00 -0.470834D+00 -0.116793D+01
      2   0.965154D+01 -0.101182D+01  0.323731D+01 -0.448111D+01  0.153515D+02
      3   0.547678D+00 -0.419291D+01 -0.968765D+00 -0.327150D+01  0.405531D+00
               206           207           208           209           210 
      1   0.316128D+01 -0.283839D+01  0.894800D+00 -0.100597D+01  0.290815D-01
      2  -0.144760D+01  0.386757D+02 -0.134987D+02  0.446708D+01  0.126247D+02
      3  -0.700175D+01  0.339730D+01  0.145878D+02 -0.119692D+02 -0.577063D+01
               211           212           213           214           215 
      1  -0.334424D+00  0.104529D+01 -0.654491D+00 -0.518772D+00  0.188571D+01
      2   0.701317D+01 -0.677753D+01 -0.894338D+01  0.149538D+02 -0.597080D+01
      3  -0.141365D+02  0.993331D+01  0.737280D+01 -0.778171D+01  0.100303D+02
               216           217           218           219           220 
      1   0.928982D-01 -0.383680D+01  0.186442D+01  0.463718D+01  0.300002D+01
      2  -0.105836D+02 -0.673901D+01  0.485062D+01  0.742224D+01  0.422358D+01
      3   0.714248D+01  0.542063D+01 -0.101521D+02 -0.158036D+01 -0.379011D+01
               221           222           223           224           225 
      1  -0.309020D+01 -0.458520D+01  0.436233D+01 -0.250980D+01 -0.393656D+01
      2  -0.678442D+01 -0.658720D+01  0.635465D+01 -0.832726D+01 -0.716626D+01
      3   0.118617D+02  0.447126D+01 -0.153872D+01  0.938863D+01  0.527494D+01
               226           227           228           229           230 
      1   0.161565D+01 -0.799070D-01  0.231071D+01 -0.515433D+00  0.158508D+01
      2   0.301315D+01 -0.101669D+01  0.459336D+01 -0.301284D+00  0.342874D+01
      3   0.381493D+01 -0.244791D+01  0.665692D-01  0.322296D+00  0.345549D+01
               231           232           233           234           235 
      1  -0.386204D+01  0.286061D+01 -0.129250D+01  0.134951D+02 -0.110863D+01
      2  -0.395772D+01  0.184827D+01 -0.880365D+01  0.237328D+02 -0.424907D+01
      3  -0.327881D+01 -0.108994D+01 -0.950733D+01  0.778282D+01  0.275347D+02
               236           237           238           239           240 
      1  -0.351390D+00 -0.243548D+01  0.961886D-01 -0.855152D+00 -0.193258D+01
      2  -0.926580D+00 -0.111925D+01 -0.472461D+00 -0.163844D+01 -0.117475D+01
      3   0.101902D+02  0.370452D+01  0.103055D+02  0.640863D+01  0.225485D+01
               241           242           243           244           245 
      1  -0.204007D+01 -0.110200D+00 -0.508494D-01 -0.184656D+01  0.865943D+00
      2  -0.413432D+01 -0.268411D+01 -0.248595D+00  0.457541D+01  0.406910D+00
      3   0.335826D+01  0.344199D+01  0.427516D+01  0.398805D+01 -0.243787D+01
               246           247           248           249           250 
      1  -0.783648D+00  0.549501D+00 -0.278487D+01  0.708663D+00 -0.120757D+01
      2   0.346183D+01  0.141601D+01  0.418601D+01 -0.587418D+01  0.191207D+01
      3   0.117795D+01 -0.303895D+00  0.437436D+01 -0.486421D+01  0.179072D-01
               251           252           253           254           255 
      1   0.463702D+01 -0.261884D+01  0.365430D+01  0.143188D+01 -0.497296D+01
      2  -0.523044D+01  0.144432D+02 -0.616997D+01  0.502216D+01  0.128847D+02
      3  -0.615256D+01  0.592581D+01 -0.309189D+01 -0.151391D+02 -0.101362D+02
               256           257           258           259           260 
      1   0.337313D+01 -0.146711D+00  0.747597D+01 -0.260138D+01  0.129371D+02
      2   0.306361D+01  0.485583D+01 -0.896067D+01  0.935747D+01 -0.119725D+02
      3  -0.161331D+02 -0.107340D+02 -0.781317D+01 -0.893727D+01 -0.480561D+01
               261           262           263           264           265 
      1  -0.389966D+01 -0.249929D+01  0.822009D+00  0.304250D+01  0.230960D+01
      2  -0.122994D+01 -0.659166D+01  0.567575D+01  0.705463D+01  0.414473D+01
      3   0.148440D+02  0.650562D+01 -0.885513D+01 -0.295480D+01 -0.514808D+01
               266           267           268           269           270 
      1  -0.198687D+01 -0.263394D+01  0.346599D+01 -0.136342D+01 -0.472792D+01
      2  -0.562897D+01 -0.582033D+01  0.108468D+02 -0.106879D+02 -0.140354D+02
      3   0.106509D+02  0.365512D+01 -0.801763D+01  0.125542D+02  0.775889D+01
               271           272           273           274           275 
      1  -0.251985D+01 -0.107914D+01  0.398225D+01 -0.464068D+00 -0.528730D+00
      2   0.872538D+01 -0.536176D+01 -0.811938D+01 -0.238551D+01  0.503494D+01
      3  -0.888822D+01  0.762557D+01  0.789327D+01  0.547450D+01 -0.654655D+01
               276           277           278           279           280 
      1  -0.310135D+01  0.262607D+01 -0.585178D+00 -0.587447D+01  0.244550D+01
      2   0.507525D+01 -0.813299D+01  0.848345D+01  0.135881D+02 -0.203170D+01
      3  -0.524419D+01  0.659857D+01 -0.788262D+01 -0.114871D+02 -0.331484D+01
               281           282           283           284           285 
      1  -0.658230D+00  0.202722D+01 -0.510663D-01  0.675015D+01 -0.738113D+01
      2  -0.291714D+00 -0.142504D+01 -0.821968D+00 -0.520818D+01  0.556721D+01
      3   0.276967D+01 -0.141189D+01  0.278966D+01 -0.946372D+01  0.542185D+01
               286           287           288           289           290 
      1   0.157481D+01 -0.527423D+01  0.112998D+02 -0.137480D+01  0.195562D+01
      2  -0.293437D+01  0.572601D+01 -0.933487D+01 -0.205937D+01  0.237044D+00
      3  -0.314060D+01  0.103009D+02 -0.709402D+01  0.725778D+01 -0.603701D+01
               291           292           293           294           295 
      1  -0.318032D+01  0.747129D+00  0.664077D+00 -0.200824D+01 -0.256673D+01
      2   0.520039D+01 -0.658845D-01 -0.451325D+00  0.222983D+01  0.216984D+01
      3   0.125134D+01 -0.874038D+00 -0.170204D+01 -0.126473D+00  0.209859D+01
               296           297 
      1  -0.622826D+00 -0.133151D+01
      2   0.275816D+01  0.330228D+01
      3  -0.157852D+01 -0.105075D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.551213D+01 -0.112558D+02  0.203393D+02  0.160343D+02 -0.150060D+02
      2  -0.419726D+01  0.450080D+01 -0.175115D+01 -0.188343D+01  0.227210D+02
      3   0.970938D+01  0.675498D+01 -0.185882D+02 -0.141509D+02 -0.771504D+01
      4  -0.955780D+01 -0.538342D+01  0.911413D+01  0.141211D+01  0.394556D+00
      5   0.730455D+01  0.705073D+01  0.346880D+01  0.931692D+01  0.319156D+01
      6   0.677661D+01 -0.281964D+01  0.316672D+01  0.703356D+01  0.590759D-01
                 6             7             8             9            10 
      1   0.361417D+01 -0.375916D+02 -0.134580D+02  0.642619D+01  0.607244D+02
      2  -0.524915D+01  0.134121D+02  0.745580D+01 -0.899256D+01 -0.235947D+02
      3   0.163498D+01  0.241795D+02  0.600223D+01  0.256637D+01 -0.371297D+02
      4   0.403863D+01 -0.340791D+01  0.142780D+01 -0.550470D+01  0.264820D+01
      5  -0.666942D+01  0.580140D+01 -0.676028D+01  0.248094D+01  0.452384D+01
      6   0.537775D+00 -0.112620D+02 -0.691025D+01  0.724742D+01  0.149189D+01
                11            12            13            14            15 
      1   0.933298D+00  0.513651D+01 -0.456564D+01 -0.549422D+01  0.755729D+01
      2   0.216274D+01 -0.546365D+01  0.443510D+01  0.653349D+01 -0.386573D+01
      3  -0.309604D+01  0.327135D+00  0.130546D+00 -0.103927D+01 -0.369156D+01
      4   0.253208D+01 -0.516811D+01  0.896374D+01  0.342164D+01  0.521206D+00
      5  -0.507690D+01  0.395555D+01  0.124489D+02 -0.115912D+00  0.132105D+01
      6  -0.155322D+01  0.301760D+01  0.459950D+01  0.347595D+01  0.111542D+02
                16            17            18            19            20 
      1   0.618309D+01  0.100415D+02 -0.128067D+02  0.121724D+02  0.183553D+02
      2   0.293190D+01  0.533715D+01  0.247433D+01  0.300522D+01 -0.150181D+02
      3  -0.911499D+01 -0.153786D+02  0.103324D+02 -0.151777D+02 -0.333723D+01
      4   0.189486D+02  0.561301D+00 -0.614701D+00  0.199853D+01  0.278983D+01
      5  -0.706232D+01 -0.110042D+00  0.445308D+01 -0.128194D+02  0.184799D+01
      6   0.494023D+01  0.532784D+01 -0.440752D+01 -0.345707D+01  0.467826D+01
                21            22            23            24            25 
      1  -0.167820D+02 -0.156563D+02 -0.337400D+01 -0.148219D+02  0.169769D+02
      2   0.117701D+02  0.460053D+01  0.113584D+02 -0.633054D+01 -0.450933D+01
      3   0.501187D+01  0.110558D+02 -0.798445D+01  0.211525D+02 -0.124676D+02
      4   0.147339D+00  0.128163D+02 -0.651604D+01 -0.102628D+01  0.334343D+01
      5  -0.117330D+02 -0.151155D+00 -0.809799D+00 -0.615152D+00  0.823538D+01
      6  -0.647498D+01 -0.488346D+01 -0.306489D+01  0.440646D+00  0.141474D+02
                26            27            28            29            30 
      1  -0.664695D+01  0.843373D+00  0.146209D+02  0.443181D+01 -0.151481D+00
      2  -0.195726D+01 -0.239910D+01 -0.364027D+01 -0.226045D+01 -0.290159D+01
      3   0.860420D+01  0.155573D+01 -0.109806D+02 -0.217136D+01  0.305307D+01
      4  -0.144196D+01  0.931227D+01  0.483678D+01  0.564472D+01 -0.154878D+01
      5   0.887006D+01 -0.630011D+01  0.737641D+01 -0.921742D+00  0.707849D+01
      6   0.242762D+01  0.132492D+02  0.944338D+01  0.413064D+01 -0.543425D+00
                31            32            33            34            35 
      1  -0.761003D+01 -0.661558D+01  0.893307D+01  0.216105D+01  0.117761D+02
      2  -0.207845D+01  0.218099D+01 -0.416410D+01  0.443318D+01  0.416433D+01
      3   0.968848D+01  0.443459D+01 -0.476897D+01 -0.659423D+01 -0.159405D+02
      4   0.101267D+02  0.366088D+01  0.326951D+01  0.212038D+02  0.214596D+01
      5   0.177984D+02  0.440696D+01  0.122408D+01 -0.409647D+01 -0.347962D+01
      6   0.481299D+01  0.570153D+01  0.102893D+02  0.246246D+01  0.569403D+01
                36            37            38            39            40 
      1  -0.145299D+02  0.366308D+01 -0.842823D+01  0.219709D+02  0.122075D+02
      2   0.264277D+01 -0.894137D+01  0.211157D+01 -0.447838D+01  0.522060D+00
      3   0.118871D+02  0.527829D+01  0.631666D+01 -0.174925D+02 -0.127296D+02
      4  -0.370245D+01 -0.121532D+02 -0.538719D+01  0.610838D+01  0.495496D+01
      5  -0.110888D+01  0.860534D+01  0.382372D+01  0.356599D+01  0.438036D+01
      6  -0.596548D+01  0.379615D+01 -0.384011D+01 -0.241427D+01  0.385154D+01
                41            42            43            44            45 
      1  -0.662147D+01 -0.431854D+00 -0.249183D+02 -0.112229D+02  0.892943D+01
      2   0.129256D+02 -0.187408D+01  0.488684D+01  0.216889D+01 -0.768533D+01
      3  -0.630417D+01  0.230593D+01  0.200315D+02  0.905397D+01 -0.124410D+01
      4   0.813977D+00  0.918270D+00 -0.772641D+01 -0.466762D+01 -0.622773D+01
      5   0.257287D+01 -0.821319D+01  0.776980D+01 -0.572553D+01  0.650902D+00
      6   0.216629D+01  0.228984D+01 -0.140755D+02 -0.490532D+01  0.710240D+01
                46            47            48            49            50 
      1  -0.580362D+01  0.109260D+02 -0.148075D+02 -0.249279D+02  0.224810D+01
      2   0.106026D+02 -0.640087D+01  0.943660D+01  0.926866D+01  0.423252D+01
      3  -0.479897D+01 -0.452514D+01  0.537092D+01  0.156593D+02 -0.648062D+01
      4   0.676794D+01  0.716595D+01 -0.638322D+00  0.132408D+02 -0.441254D+01
      5  -0.131675D+02  0.146990D+01 -0.876833D+01 -0.742377D+01 -0.303746D+00
      6   0.115306D+01  0.327586D+01 -0.471497D+01 -0.274046D+01  0.182968D+01
                51            52            53            54            55 
      1  -0.212132D+02  0.271898D+02 -0.595087D+01 -0.424780D+00 -0.629661D+02
      2   0.760646D-01 -0.713001D+01 -0.158441D+01  0.716136D+00  0.228299D+02
      3   0.211371D+02 -0.200598D+02  0.753528D+01 -0.291356D+00  0.401362D+02
      4   0.417012D+00  0.321646D+01 -0.502570D+00  0.517392D+01  0.823197D+01
      5   0.473071D+00  0.529892D+01  0.492186D+01 -0.636150D+01  0.432954D+01
      6   0.416280D+01  0.861518D+01  0.349643D+01  0.158659D+02  0.249697D+00
                56            57            58            59            60 
      1   0.111420D+02  0.400180D+01  0.491575D+02 -0.114031D+02 -0.606982D+01
      2  -0.771537D+01  0.110337D-01 -0.362439D+02 -0.124991D+02  0.123706D+01
      3  -0.342667D+01 -0.401283D+01 -0.129136D+02  0.239022D+02  0.483276D+01
      4  -0.192317D+02 -0.298648D+01 -0.372308D+02 -0.451871D+02  0.153988D+01
      5  -0.290252D+01 -0.841730D+01 -0.676246D+01  0.302477D+01  0.681958D+01
      6  -0.189303D+01 -0.958186D+00 -0.395916D+01 -0.170952D+01  0.168324D+01
                61            62            63            64            65 
      1   0.464760D+02 -0.900549D+01 -0.154576D+01 -0.261246D+02 -0.385697D+02
      2  -0.137118D+02  0.583863D+01  0.139354D+02  0.196943D+02  0.158355D+02
      3  -0.327642D+02  0.316686D+01 -0.123896D+02  0.643030D+01  0.227342D+02
      4  -0.879878D+01  0.133229D+02  0.239954D+01 -0.430337D+02  0.175196D+02
      5  -0.209924D+02  0.258082D+01 -0.420834D+02 -0.145981D+02  0.421891D+01
      6  -0.196209D+01  0.107756D+00 -0.617683D+01  0.249488D+01  0.196130D+01
                66            67            68            69            70 
      1  -0.115273D+02 -0.851459D+02  0.317881D+02 -0.111199D+00 -0.514621D+02
      2   0.793052D+01  0.439943D+02 -0.186487D+02  0.398301D+00  0.211347D+02
      3   0.359680D+01  0.411515D+02 -0.131394D+02 -0.287102D+00  0.303274D+02
      4   0.402077D+01  0.299849D+02  0.437517D+02 -0.591893D+01  0.606083D+01
      5   0.172579D+02  0.636892D+01 -0.718908D+01 -0.142086D+02  0.371376D+02
      6  -0.542718D+00 -0.158432D+01  0.326025D+01 -0.939958D+00 -0.187301D+01
                71            72            73            74            75 
      1   0.207531D+01  0.297375D+02  0.335926D+02  0.455158D+02  0.272791D+02
      2  -0.145866D+01 -0.841559D+01 -0.153901D+02 -0.258777D+02 -0.126061D+02
      3  -0.616647D+00 -0.213219D+02 -0.182026D+02 -0.196381D+02 -0.146730D+02
      4  -0.127585D+02 -0.158049D+02  0.466740D+02 -0.199329D+02 -0.805864D+01
      5  -0.150584D+02  0.652513D+02  0.307354D+02 -0.894956D+01 -0.313313D+02
      6   0.622432D+01  0.228937D+00 -0.141013D+00  0.138062D+01 -0.172084D+00
                76            77            78            79            80 
      1   0.666560D+02 -0.325785D+02 -0.128010D+02  0.476143D+02 -0.108384D+02
      2  -0.394532D+02  0.742918D+01  0.804185D+01 -0.200704D+02  0.753004D+01
      3  -0.272028D+02  0.251493D+02  0.475914D+01 -0.275439D+02  0.330836D+01
      4  -0.412613D+02 -0.656328D+02  0.246344D+02 -0.100143D+02  0.254161D+02
      5  -0.127269D+02  0.272821D+02  0.187577D+02 -0.553952D+02  0.151221D+02
      6   0.413643D+01  0.394425D+01 -0.767916D+00  0.435152D+00 -0.164701D+01
                81            82            83            84            85 
      1  -0.438957D+02  0.409726D+02  0.319158D+02  0.209927D+02  0.343611D+02
      2   0.292703D+02 -0.318298D+02 -0.100808D+02 -0.827564D+01 -0.123954D+02
      3   0.146254D+02 -0.914278D+01 -0.218349D+02 -0.127170D+02 -0.219657D+02
      4   0.153727D+02  0.300548D+02 -0.271707D+02 -0.147248D+02 -0.327354D+02
      5  -0.571174D+02  0.212121D+02 -0.107806D+02 -0.158327D+02 -0.100860D+02
      6  -0.293753D+01 -0.138394D+02  0.352450D+01  0.892915D+01  0.559362D+01
                86            87            88            89            90 
      1  -0.297543D+02 -0.344371D+01  0.299743D+02 -0.747404D+01 -0.103004D+02
      2   0.228435D+02 -0.421844D+01 -0.867723D+01 -0.293264D+01  0.390994D+01
      3   0.691084D+01  0.766215D+01 -0.212971D+02  0.104067D+02  0.639049D+01
      4  -0.149266D+02  0.132056D+02 -0.158393D+02  0.231653D+02  0.324401D+02
      5   0.127897D+02  0.186259D+02 -0.260361D+02  0.279420D+02 -0.388371D+02
      6  -0.105408D+02 -0.907889D+01  0.124936D+02 -0.140762D+02  0.179228D+02
                91            92            93            94            95 
      1   0.823559D+00  0.189192D+02  0.107387D+02  0.205489D+02 -0.203234D+01
      2  -0.160773D+01 -0.139341D+02 -0.251533D+01 -0.219289D+02 -0.561222D+01
      3   0.784176D+00 -0.498508D+01 -0.822337D+01  0.138004D+01  0.764456D+01
      4   0.154358D+02 -0.119454D+02 -0.434840D+01 -0.374086D+02 -0.241175D+02
      5   0.851959D+01 -0.433813D+01 -0.835643D+01 -0.208521D+02 -0.171808D+02
      6  -0.104725D+01 -0.483419D+01 -0.189322D+01 -0.123432D+02 -0.113989D+02
                96            97            98            99           100 
      1  -0.769063D+01  0.268047D+02 -0.104233D+02 -0.106260D+02 -0.630874D+01
      2  -0.642061D+01 -0.104953D+02 -0.523033D+01  0.136844D+02  0.375788D+01
      3   0.141112D+02 -0.163093D+02  0.156537D+02 -0.305840D+01  0.255086D+01
      4  -0.163986D+02 -0.195010D+02 -0.436406D+01  0.218780D+02 -0.125755D+02
      5   0.147855D+02 -0.228992D+02  0.220746D+02 -0.152383D+02  0.121185D+02
      6  -0.969364D+01  0.256476D+01 -0.183763D+01  0.597729D+01  0.346975D+01
               101           102           103           104           105 
      1  -0.131990D+02  0.169361D+01 -0.259078D+02  0.313089D+01  0.243953D+02
      2   0.123199D+02 -0.637580D+01  0.248989D+02 -0.107385D+02 -0.210364D+02
      3   0.879051D+00  0.468219D+01  0.100897D+01  0.760760D+01 -0.335892D+01
      4  -0.377007D+01  0.138165D+02 -0.264157D+01  0.750463D+01 -0.512470D+01
      5   0.143271D+02 -0.817147D+00  0.412190D+02 -0.490025D+01 -0.313611D+02
      6   0.331599D+01 -0.187603D+01 -0.347256D+01  0.596659D+01  0.473461D+00
               106           107           108           109           110 
      1   0.282156D+02  0.182775D+02 -0.124154D+01  0.504789D+02  0.170516D+02
      2  -0.188629D+02 -0.104292D+02  0.945265D+01 -0.316543D+02 -0.101740D+02
      3  -0.935270D+01 -0.784836D+01 -0.821112D+01 -0.188246D+02 -0.687753D+01
      4   0.237157D+02  0.111152D+02 -0.242573D+02  0.210669D+02  0.191237D+02
      5  -0.109825D+02 -0.238870D+02  0.275432D+02 -0.365386D+02 -0.117429D+02
      6  -0.488950D+01 -0.403758D+01  0.428014D+01 -0.490780D+01 -0.419769D+01
               111           112           113           114           115 
      1  -0.245204D+02  0.364926D+02  0.728109D+01 -0.114376D+02 -0.484923D+02
      2   0.178558D+02 -0.210063D+02 -0.290619D+01  0.120342D+02  0.320777D+02
      3   0.666461D+01 -0.154863D+02 -0.437490D+01 -0.596620D+00  0.164146D+02
      4  -0.914515D+01  0.212296D+02  0.338672D+02 -0.154743D+02 -0.115811D+02
      5   0.233074D+02 -0.249823D+02 -0.161609D+02  0.266142D+02  0.457348D+02
      6   0.380788D+01 -0.471440D+01 -0.870414D+01  0.104584D+02  0.145662D+01
               116           117           118           119           120 
      1  -0.529681D+01  0.109647D+02  0.104096D+01 -0.434145D+01  0.166299D+02
      2   0.796856D+01 -0.298505D+02  0.185054D+01  0.105645D+01 -0.681787D+01
      3  -0.267175D+01  0.188858D+02 -0.289150D+01  0.328500D+01 -0.981204D+01
      4  -0.273848D+02  0.213169D+02  0.283239D+01 -0.640785D+01 -0.201727D+02
      5   0.211263D+02 -0.640588D+02  0.226938D+02 -0.165357D+02 -0.980431D+01
      6   0.120948D+02 -0.902086D+01 -0.943287D+01  0.777107D+01  0.499249D+01
               121           122           123           124           125 
      1  -0.990066D+01 -0.153258D+02 -0.158851D+02  0.317376D+02 -0.223983D+02
      2  -0.232833D+01  0.314337D+02  0.764090D+01 -0.109588D+02  0.531028D+01
      3   0.122290D+02 -0.161079D+02  0.824418D+01 -0.207788D+02  0.170880D+02
      4   0.120450D+02 -0.353552D+02  0.182996D+02 -0.381169D+02  0.355272D+02
      5  -0.208679D+02  0.200563D+02  0.743499D+01 -0.135843D+02  0.877561D+01
      6   0.739923D+01 -0.372121D+01  0.300761D+01  0.837322D+01  0.832517D+00
               126           127           128           129           130 
      1  -0.130411D+02  0.162830D+01 -0.374153D+01  0.185460D+01 -0.389887D+00
      2   0.609012D+01  0.730624D+00  0.516029D+01 -0.909851D+00  0.103974D+01
      3   0.695098D+01 -0.235892D+01 -0.141876D+01 -0.944744D+00 -0.649853D+00
      4   0.111424D+02  0.110610D+02  0.974829D+01 -0.715266D+01  0.866143D+01
      5   0.264389D+02 -0.128406D+02 -0.819576D+01  0.104711D+02 -0.108029D+02
      6  -0.104940D+02 -0.881776D+01 -0.773270D+01  0.794180D+01 -0.857572D+01
               131           132           133           134           135 
      1  -0.843498D+01  0.809951D+01  0.530947D+01  0.110644D+02 -0.132706D+02
      2   0.754504D+01 -0.295441D+01 -0.141953D+01 -0.693024D+01  0.234190D+01
      3   0.889942D+00 -0.514509D+01 -0.388995D+01 -0.413415D+01  0.109287D+02
      4   0.106122D+02 -0.756102D+01 -0.785630D+01 -0.785467D+01  0.830663D+01
      5  -0.907846D+01  0.106071D+02  0.109690D+02  0.951909D+01 -0.146074D+02
      6  -0.121733D+02  0.119193D+02  0.945671D+01  0.140881D+02 -0.159820D+02
               136           137           138           139           140 
      1  -0.310188D+01  0.187532D+01 -0.602061D+01  0.395800D+01 -0.770831D+01
      2  -0.349294D+01  0.496718D+00 -0.410279D+01  0.161071D+00  0.189948D+01
      3   0.659482D+01 -0.237204D+01  0.101234D+02 -0.411907D+01  0.580883D+01
      4  -0.491074D+01  0.396275D+01 -0.550422D+01  0.322310D+01 -0.351762D+01
      5   0.920135D+01 -0.384185D+01  0.116783D+02 -0.387363D+01  0.316042D+01
      6  -0.505983D+01  0.336161D+01 -0.529034D+01  0.382052D+01 -0.812958D+01
               141           142           143           144           145 
      1   0.131674D+02 -0.804579D+01  0.126864D+02 -0.283900D+02  0.385476D+01
      2   0.830230D+00 -0.210457D+01 -0.202629D+01 -0.599846D+01 -0.218697D+01
      3  -0.139976D+02  0.101504D+02 -0.106601D+02  0.343884D+02 -0.166779D+01
      4   0.433899D+01 -0.616151D+01  0.667064D+01 -0.990205D+01  0.517004D+01
      5  -0.474906D+01  0.105157D+02 -0.607652D+01  0.161307D+02 -0.959306D+01
      6   0.114262D+02 -0.811751D+01  0.132731D+02 -0.215747D+02 -0.367912D+01
               146           147           148           149           150 
      1  -0.156310D+01  0.111819D+01 -0.235504D+01 -0.549339D+01  0.632213D+01
      2   0.170192D+01  0.942468D+00  0.477689D+00  0.354849D+01 -0.448632D+00
      3  -0.138821D+00 -0.206066D+01  0.187735D+01  0.194490D+01 -0.587350D+01
      4   0.512348D+01 -0.300395D+01  0.484700D+01  0.559176D+01 -0.338160D+01
      5  -0.415957D+01  0.759188D+01 -0.665655D+01 -0.577276D+01  0.785466D+01
      6  -0.315271D+01  0.380737D+01 -0.425812D+01 -0.669804D+01  0.677133D+01
               151           152           153           154           155 
      1   0.359118D+01  0.698299D+01 -0.103655D+02 -0.111240D+01  0.198688D+00
      2   0.851743D+00 -0.283407D+01 -0.118469D+01 -0.427050D+01  0.143347D+01
      3  -0.444293D+01 -0.414892D+01  0.115502D+02  0.538290D+01 -0.163216D+01
      4  -0.408641D+01 -0.421531D+01  0.402215D+01 -0.349499D+01  0.295839D+01
      5   0.954145D+01  0.587741D+01 -0.116530D+02  0.765941D+01 -0.299258D+01
      6   0.557724D+01  0.809847D+01 -0.966391D+01 -0.202684D+01  0.189054D+01
               156           157           158           159           160 
      1  -0.386840D+01  0.319847D+01 -0.573171D+01  0.105068D+02 -0.324369D+01
      2  -0.504412D+01 -0.464652D-01  0.516027D+00  0.222356D+01 -0.533692D+01
      3   0.891252D+01 -0.315201D+01  0.521568D+01 -0.127303D+02  0.858061D+01
      4  -0.341680D+01  0.234507D+01 -0.252671D+01  0.345549D+01 -0.490474D+01
      5   0.103887D+02 -0.291443D+01  0.299936D+01 -0.381904D+01  0.104784D+02
      6  -0.150357D+01  0.258084D+01 -0.492018D+01  0.648425D+01 -0.396463D+01
               161           162           163           164           165 
      1   0.757808D+01 -0.232125D+02  0.163441D+02  0.713359D+01 -0.195078D+01
      2   0.582954D+00 -0.102056D+02 -0.168142D+01  0.190371D+00  0.730132D+00
      3  -0.816103D+01  0.334181D+02 -0.146627D+02 -0.732396D+01  0.122065D+01
      4   0.507082D+01 -0.717327D+01  0.149977D+02  0.195457D+02  0.214809D+01
      5  -0.469527D+01  0.161869D+02 -0.134168D+01  0.257743D+01  0.376611D+01
      6   0.804793D+01 -0.116786D+02  0.103687D+01  0.167664D+01  0.777779D+00
               166           167           168           169           170 
      1   0.130146D+02 -0.105196D+02 -0.105841D+00 -0.170232D+02  0.242578D+00
      2   0.470176D+01  0.333347D+02  0.596711D+00  0.511815D+01 -0.311789D+01
      3  -0.177163D+02 -0.228151D+02 -0.490871D+00  0.119051D+02  0.287532D+01
      4   0.314326D+02  0.584096D+02  0.344961D+01 -0.390093D+01 -0.859445D+01
      5   0.392523D+01  0.212799D+01  0.518954D+01  0.526212D+01  0.586892D+01
      6   0.343350D+01  0.735436D+01  0.542659D+01  0.194738D+01  0.561580D+01
               171           172           173           174           175 
      1  -0.184117D+01  0.728266D+01 -0.213550D+01  0.589429D+01 -0.115451D+02
      2   0.129464D+01 -0.794061D+01  0.122312D+01 -0.568613D+01  0.704080D+01
      3   0.546531D+00  0.657949D+00  0.912382D+00 -0.208159D+00  0.450428D+01
      4   0.592671D+01 -0.114609D+01  0.482997D+01  0.250403D+01  0.473634D+01
      5   0.166005D+01  0.112736D+02  0.177345D+01  0.143668D+02 -0.249302D+01
      6   0.142256D+00  0.950467D+00  0.130813D+01  0.151609D+01  0.100933D+01
               176           177           178           179           180 
      1  -0.771405D+00 -0.670286D+00  0.110522D+02 -0.231518D+01 -0.121196D+02
      2   0.793187D+00  0.247500D+01 -0.121019D+02  0.578066D+00 -0.155231D+02
      3  -0.217821D-01 -0.180471D+01  0.104973D+01  0.173711D+01  0.276427D+02
      4   0.260476D+01  0.463430D+01  0.349023D+01  0.674383D+01  0.535315D+01
      5   0.477665D+01 -0.660947D+01  0.193615D+02  0.518437D+01  0.459572D+02
      6   0.461818D+00  0.395986D+01  0.379538D+01  0.567842D+01  0.110373D+02
               181           182           183           184           185 
      1  -0.310595D+01  0.693958D+01 -0.871850D+01  0.146458D+02 -0.801681D+01
      2  -0.192174D+01 -0.272298D+01  0.269509D+01 -0.728450D+01  0.377140D+01
      3   0.502769D+01 -0.421660D+01  0.602341D+01 -0.736128D+01  0.424542D+01
      4   0.757433D+01 -0.169811D+01 -0.677891D+00  0.189690D+00 -0.113750D+01
      5  -0.653149D+01 -0.653052D+00 -0.523984D+00  0.989497D+00 -0.637261D+01
      6  -0.199275D+00 -0.118100D+00 -0.432049D-01  0.544169D+00 -0.208158D+01
               186           187           188           189           190 
      1   0.197594D+01 -0.182207D+02  0.913781D-01 -0.211039D+02  0.131699D+02
      2   0.136716D-01  0.868625D+01  0.262430D+01 -0.876942D+01 -0.374922D+01
      3  -0.198962D+01  0.953442D+01 -0.271567D+01  0.298733D+02 -0.942064D+01
      4  -0.603359D+01 -0.688822D+00 -0.904029D+01  0.718900D+01  0.152597D+02
      5   0.716798D+01  0.551947D+00  0.705113D+01 -0.565301D+02 -0.583811D+01
      6   0.722340D+01 -0.153332D+00  0.337653D+01 -0.165809D+01 -0.125698D+01
               191           192           193           194           195 
      1   0.138667D+02 -0.554067D+01  0.347919D+02  0.222044D+02 -0.125353D+01
      2  -0.458566D+01  0.248353D+01 -0.116970D+02  0.658048D+01 -0.810819D+00
      3  -0.928103D+01  0.305714D+01 -0.230950D+02 -0.287849D+02  0.206435D+01
      4   0.200087D+02 -0.240661D+01  0.448021D+02  0.913737D+02 -0.132438D+02
      5  -0.241941D+01  0.641622D+01 -0.530069D+01 -0.148479D+02  0.136397D+02
      6  -0.587542D+00  0.525609D+00 -0.254950D+01 -0.476290D+01  0.587851D+01
               196           197           198           199           200 
      1  -0.126316D+02 -0.201602D+01  0.815830D+01  0.219986D+02 -0.417953D+01
      2   0.578983D+01 -0.614956D+00 -0.432905D+01 -0.143408D+02  0.265224D+01
      3   0.684182D+01  0.263097D+01 -0.382925D+01 -0.765778D+01  0.152729D+01
      4  -0.646035D+01 -0.170483D+02  0.105325D+02 -0.365642D+01  0.578548D+01
      5   0.145560D+02  0.113933D+02 -0.300678D+01  0.164998D+02  0.105220D+00
      6   0.248955D+01  0.635475D+01 -0.265799D+01  0.425430D+00 -0.662210D-01
               201           202           203           204           205 
      1   0.151770D+02 -0.131240D+02  0.693197D+01 -0.148251D+01  0.416305D+02
      2  -0.952628D+01  0.782414D+01 -0.307904D+01  0.152680D+01 -0.267840D+02
      3  -0.565069D+01  0.529981D+01 -0.385293D+01 -0.442832D-01 -0.148465D+02
      4   0.353493D+00  0.121524D+02  0.306718D+01  0.726631D+01  0.263386D+01
      5   0.220739D+02 -0.354879D+01  0.677618D+01 -0.884885D+01  0.446528D+02
      6   0.106744D+01  0.165103D+01 -0.109468D+01  0.400656D+01  0.105045D+01
               206           207           208           209           210 
      1   0.265807D+01  0.265381D+02  0.967832D+02 -0.262253D+02 -0.302163D+02
      2  -0.996814D+00 -0.270032D+02 -0.506790D+02  0.136664D+02  0.166185D+02
      3  -0.166125D+01  0.465023D+00 -0.461042D+02  0.125588D+02  0.135978D+02
      4   0.130527D+02 -0.339945D+01 -0.269293D+02  0.204894D+02  0.967465D+01
      5  -0.249394D+01  0.776379D+02 -0.345960D+02  0.104522D+02  0.255088D+02
      6   0.417278D+01  0.329855D+01  0.155672D+01 -0.718940D+00 -0.208544D+00
               211           212           213           214           215 
      1  -0.612241D+02  0.237391D+02  0.142798D+02 -0.586296D+02  0.113526D+02
      2   0.313032D+02 -0.949138D+01 -0.803226D+01  0.323730D+02 -0.690113D+01
      3   0.299209D+02 -0.142477D+02 -0.624754D+01  0.262567D+02 -0.445149D+01
      4   0.316853D+02 -0.182554D+02 -0.141513D+02  0.136307D+02 -0.175384D+02
      5   0.188159D+02 -0.146030D+02 -0.176442D+02  0.398710D+02 -0.127507D+02
      6  -0.275882D+01  0.219857D+01  0.252258D+01 -0.180965D+01  0.292953D+01
               216           217           218           219           220 
      1   0.288910D+02  0.328743D+02 -0.187802D+02 -0.124449D+02 -0.155570D+02
      2  -0.195100D+02 -0.778266D+01 -0.983286D+00  0.387402D+01 -0.236581D+01
      3  -0.938102D+01 -0.250916D+02  0.197635D+02  0.857093D+01  0.179228D+02
      4  -0.121764D+02 -0.404650D+02  0.387905D+02  0.151626D+02  0.359133D+02
      5  -0.237935D+02 -0.186656D+02  0.121984D+02  0.156311D+02  0.114689D+02
      6   0.227193D+01  0.929487D+01 -0.723297D+01 -0.846276D+01 -0.759821D+01
               221           222           223           224           225 
      1   0.963889D+01  0.322593D+01 -0.197754D+02  0.575119D+01  0.757583D+01
      2   0.112286D+02  0.386032D+01  0.651274D+01  0.464067D+01 -0.255398D+01
      3  -0.208675D+02 -0.708625D+01  0.132627D+02 -0.103919D+02 -0.502185D+01
      4  -0.419121D+02 -0.170537D+02  0.242754D+02 -0.286924D+02 -0.214562D+02
      5  -0.158345D+02 -0.126876D+02  0.204632D+02 -0.189838D+02 -0.168035D+02
      6   0.112081D+02  0.957909D+01 -0.104537D+02  0.123406D+02  0.976397D+01
               226           227           228           229           230 
      1   0.264050D+01 -0.585431D+01  0.639071D+01 -0.290776D+01 -0.148078D+01
      2  -0.929512D+00  0.133233D+01 -0.405509D+01 -0.389015D+00  0.332667D+01
      3  -0.171098D+01  0.452198D+01 -0.233561D+01  0.329678D+01 -0.184590D+01
      4  -0.914871D+01  0.979717D+01 -0.456968D+01  0.800955D+01 -0.996881D+01
      5   0.835736D+01 -0.305534D+01  0.121532D+02 -0.144182D+01  0.787099D+01
      6  -0.284207D+01  0.135865D+01 -0.436804D+01  0.195855D+01 -0.540737D+01
               231           232           233           234           235 
      1   0.343935D+01  0.113480D+02  0.574946D+01 -0.423396D+01 -0.565079D+02
      2  -0.402073D+01 -0.650767D+01 -0.674636D+01 -0.473049D+01  0.321328D+02
      3   0.581381D+00 -0.484029D+01  0.996902D+00  0.896444D+01  0.243751D+02
      4   0.816592D+01 -0.103635D+02  0.199400D+02 -0.220011D+02  0.799780D+01
      5  -0.845699D+01  0.164476D+02 -0.193041D+02  0.495896D+02 -0.539631D+01
      6   0.103256D+02 -0.727846D+01  0.139590D+02 -0.264938D+02  0.474515D+01
               236           237           238           239           240 
      1  -0.212654D+02 -0.100145D+02 -0.148614D+02 -0.141553D+02 -0.314898D+01
      2   0.183957D+02  0.560418D+01  0.126952D+02  0.135866D+02  0.316654D+01
      3   0.286968D+01  0.441036D+01  0.216618D+01  0.568687D+00 -0.175539D-01
      4  -0.829633D+01  0.190525D+01  0.185248D+01 -0.240411D+01 -0.166316D+01
      5  -0.684808D+00 -0.246221D+01 -0.673591D+00 -0.240188D+01 -0.294616D+01
      6   0.237626D+01  0.383867D+01  0.134220D+01  0.227625D+01  0.370397D+01
               241           242           243           244           245 
      1  -0.105119D+02 -0.496076D+01 -0.702929D+01  0.162794D+01 -0.576698D+01
      2   0.498994D+01  0.435586D+01  0.357133D+01 -0.588017D+01  0.422231D+01
      3   0.552192D+01  0.604902D+00  0.345796D+01  0.425223D+01  0.154467D+01
      4   0.176492D+01 -0.450817D+01 -0.470386D+01 -0.701419D+01  0.548307D+01
      5   0.101198D+01 -0.555463D+01  0.121136D+01  0.112993D+02 -0.308652D+01
      6   0.221560D+01  0.510078D+01  0.671826D+00 -0.372143D+01  0.120855D+01
               246           247           248           249           250 
      1   0.494029D+01 -0.830556D+01 -0.113689D+01  0.373010D+01  0.500592D+01
      2  -0.538986D+01  0.573717D+01 -0.166896D+01  0.329570D+01 -0.788497D+01
      3   0.449565D+00  0.256839D+01  0.280585D+01 -0.702580D+01  0.287905D+01
      4  -0.264382D+01  0.842664D+01 -0.908517D+01  0.982628D+01 -0.287974D+01
      5   0.125597D+02 -0.444757D+01  0.102989D+02 -0.141522D+02  0.181281D+02
      6  -0.109425D+01  0.314045D+01 -0.587355D+01  0.787645D+01 -0.210370D+01
               251           252           253           254           255 
      1   0.148934D+01 -0.570159D+01 -0.445136D+02 -0.371523D+02 -0.359948D+02
      2   0.553372D+01 -0.154762D+02  0.225887D+02  0.207720D+02  0.134025D+02
      3  -0.702306D+01  0.211778D+02  0.219249D+02  0.163803D+02  0.225923D+02
      4   0.116385D+02 -0.111106D+02 -0.490361D+02 -0.624883D+01 -0.122539D+02
      5  -0.109987D+02  0.362460D+02 -0.438324D+02 -0.836000D+01  0.124681D+01
      6   0.694308D+01 -0.653213D+01 -0.217105D+02  0.218982D+01  0.936002D+01
               256           257           258           259           260 
      1  -0.201271D+02 -0.239400D+01 -0.162186D+01 -0.334908D+02  0.246898D+00
      2   0.209974D+02  0.135527D+02  0.149162D+02  0.133418D+02  0.135359D+02
      3  -0.870277D+00 -0.111587D+02 -0.132943D+02  0.201490D+02 -0.137828D+02
      4   0.142970D+02  0.279178D+02  0.156436D+02 -0.794317D+01  0.101391D+02
      5   0.739135D+00  0.164922D+02 -0.104222D+02  0.490267D+01 -0.174533D+02
      6   0.102532D+02  0.140655D+02 -0.640708D+01  0.800263D+01 -0.140415D+02
               261           262           263           264           265 
      1   0.236596D+02  0.350301D+02 -0.210775D+02 -0.158405D+02 -0.115667D+02
      2  -0.209789D+02 -0.142239D+02  0.680692D+01  0.702181D+01  0.103725D+01
      3  -0.268067D+01 -0.208062D+02  0.142706D+02  0.881867D+01  0.105294D+02
      4  -0.108286D+02 -0.347636D+02  0.287250D+02  0.158844D+02  0.237016D+02
      5   0.652279D+01 -0.216229D+02  0.142865D+02  0.170098D+02  0.102080D+02
      6  -0.420850D+01  0.899295D+01 -0.646172D+01 -0.594940D+01 -0.536528D+01
               266           267           268           269           270 
      1   0.860405D+01  0.403140D+01 -0.265370D+02  0.156761D+02  0.152450D+02
      2   0.321196D+01  0.485329D+00  0.124878D+02 -0.460004D+01 -0.864490D+01
      3  -0.118160D+02 -0.451673D+01  0.140492D+02 -0.110761D+02 -0.660011D+01
      4  -0.304236D+02 -0.126270D+02  0.338927D+02 -0.340392D+02 -0.265116D+02
      5  -0.114630D+02 -0.105605D+02  0.307505D+02 -0.243257D+02 -0.294417D+02
      6   0.793931D+01  0.612302D+01 -0.127995D+02  0.129753D+02  0.135508D+02
               271           272           273           274           275 
      1  -0.128144D+02  0.185149D+02  0.208838D+02  0.824553D+01 -0.152746D+02
      2   0.522371D+01 -0.128669D+02 -0.722551D+01 -0.608556D+01  0.120174D+02
      3   0.759073D+01 -0.564802D+01 -0.136583D+02 -0.215997D+01  0.325721D+01
      4  -0.418692D+00 -0.355454D+01  0.891831D+00  0.195250D+01  0.277869D+01
      5   0.380189D+01 -0.280606D+01 -0.494816D+01  0.206984D+00  0.297346D+01
      6   0.893273D+01 -0.108153D+02 -0.132366D+02 -0.491297D+01  0.113397D+02
               276           277           278           279           280 
      1  -0.111861D+02  0.168113D+02 -0.173840D+02 -0.284313D+02  0.199449D+01
      2   0.666708D+01 -0.619962D+01  0.863839D+01  0.632382D+01  0.110421D+01
      3   0.451898D+01 -0.106117D+02  0.874563D+01  0.221074D+02 -0.309870D+01
      4   0.237881D+01  0.539711D+01  0.759026D+01  0.646945D+01  0.520122D+01
      5   0.566990D+01  0.112843D+01  0.112248D+02  0.157664D+02  0.672150D-01
      6   0.125854D+02 -0.597298D+01  0.181082D+02  0.230085D+02 -0.887692D+00
               281           282           283           284           285 
      1   0.877696D+01 -0.563945D+00  0.629508D+01 -0.115695D+02  0.479322D+01
      2  -0.732073D+01  0.152700D+01 -0.318383D+01  0.217236D+02 -0.123423D+02
      3  -0.145623D+01 -0.963052D+00 -0.311126D+01 -0.101541D+02  0.754904D+01
      4   0.141730D+01 -0.170130D+00  0.557477D+01  0.149663D+02 -0.825228D+01
      5   0.168756D+01 -0.849522D+00  0.818319D+00 -0.101642D+02  0.106228D+02
      6  -0.338568D-01 -0.276334D+01 -0.346498D+00 -0.694944D+01  0.958100D+01
               286           287           288           289           290 
      1  -0.585621D+01  0.920198D+01 -0.873681D+01  0.806049D+02  0.206110D+02
      2   0.214577D+01 -0.196866D+02  0.128844D+02 -0.366114D+02 -0.288555D+01
      3   0.371044D+01  0.104846D+02 -0.414757D+01 -0.439934D+02 -0.177254D+02
      4  -0.663493D+01 -0.190153D+02  0.721965D+01  0.606739D+02  0.332597D+02
      5  -0.115183D+01  0.986541D+01 -0.181577D+02  0.452613D+02  0.161784D+02
      6  -0.203742D+01  0.820730D+01 -0.129947D+02  0.182163D+02  0.106495D+02
               291           292           293           294           295 
      1   0.185330D+02  0.928456D+01  0.821039D+01  0.164069D+01  0.160427D+02
      2  -0.110839D+02  0.120694D+01  0.580753D+00 -0.391507D+00 -0.107242D+02
      3  -0.744905D+01 -0.104915D+02 -0.879115D+01 -0.124918D+01 -0.531844D+01
      4   0.173541D+02  0.222393D+02  0.148211D+02  0.536559D+01  0.152923D+02
      5   0.226290D+02  0.730103D+01  0.639852D+01  0.515624D+01  0.231688D+02
      6   0.976139D+01  0.636087D+01  0.447714D+01  0.527820D+01  0.890845D+01
               296           297 
      1   0.278627D+01  0.702477D+01
      2  -0.187959D+01 -0.519521D+01
      3  -0.906682D+00 -0.182956D+01
      4   0.813838D+01  0.113199D+02
      5   0.104385D+02  0.148307D+02
      6   0.765414D+01  0.732160D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 13:10:03 2021, MaxMem=  6442450944 cpu:           93244.2 elap:           11657.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20203 -19.14610 -10.32331 -10.21177 -10.20093
 Alpha  occ. eigenvalues --  -10.19481 -10.19127 -10.19012 -10.18859 -10.18852
 Alpha  occ. eigenvalues --  -10.18774 -10.18365 -10.18257 -10.17418 -10.17041
 Alpha  occ. eigenvalues --   -1.12090  -1.03171  -0.87509  -0.82916  -0.80400
 Alpha  occ. eigenvalues --   -0.75437  -0.75049  -0.69015  -0.68796  -0.67567
 Alpha  occ. eigenvalues --   -0.62042  -0.60769  -0.57749  -0.56439  -0.51879
 Alpha  occ. eigenvalues --   -0.50802  -0.49231  -0.48058  -0.46371  -0.45404
 Alpha  occ. eigenvalues --   -0.44841  -0.44342  -0.43261  -0.42521  -0.42044
 Alpha  occ. eigenvalues --   -0.41294  -0.39353  -0.38753  -0.38273  -0.37200
 Alpha  occ. eigenvalues --   -0.36698  -0.36560  -0.35249  -0.34307  -0.33464
 Alpha  occ. eigenvalues --   -0.33341  -0.32927  -0.32568  -0.28864  -0.26068
 Alpha  occ. eigenvalues --   -0.24520
 Alpha virt. eigenvalues --   -0.02567  -0.02087  -0.01267  -0.00800   0.00004
 Alpha virt. eigenvalues --    0.00082   0.00472   0.01068   0.01464   0.01866
 Alpha virt. eigenvalues --    0.02644   0.03240   0.03314   0.03474   0.03921
 Alpha virt. eigenvalues --    0.04824   0.05379   0.05446   0.05742   0.06473
 Alpha virt. eigenvalues --    0.06510   0.07265   0.07758   0.08166   0.08273
 Alpha virt. eigenvalues --    0.08283   0.08500   0.08787   0.09185   0.09513
 Alpha virt. eigenvalues --    0.09694   0.10011   0.10424   0.10549   0.10725
 Alpha virt. eigenvalues --    0.10887   0.11200   0.11404   0.12050   0.12143
 Alpha virt. eigenvalues --    0.12458   0.12681   0.12989   0.13342   0.13380
 Alpha virt. eigenvalues --    0.13783   0.13999   0.14367   0.14757   0.14996
 Alpha virt. eigenvalues --    0.15293   0.15702   0.15981   0.16138   0.16579
 Alpha virt. eigenvalues --    0.16895   0.17306   0.17470   0.18165   0.18500
 Alpha virt. eigenvalues --    0.18922   0.19347   0.19973   0.20324   0.20436
 Alpha virt. eigenvalues --    0.20636   0.21246   0.21746   0.22231   0.22567
 Alpha virt. eigenvalues --    0.22791   0.22978   0.23274   0.23620   0.23659
 Alpha virt. eigenvalues --    0.24060   0.24385   0.24603   0.24794   0.25107
 Alpha virt. eigenvalues --    0.25649   0.25912   0.26025   0.26622   0.26891
 Alpha virt. eigenvalues --    0.27313   0.27766   0.28135   0.28603   0.28822
 Alpha virt. eigenvalues --    0.29035   0.29261   0.30190   0.30475   0.30663
 Alpha virt. eigenvalues --    0.31166   0.31917   0.32239   0.32983   0.33080
 Alpha virt. eigenvalues --    0.33355   0.33859   0.34366   0.34411   0.35098
 Alpha virt. eigenvalues --    0.35422   0.35514   0.35600   0.36272   0.36563
 Alpha virt. eigenvalues --    0.36971   0.37443   0.37738   0.37923   0.37971
 Alpha virt. eigenvalues --    0.38214   0.38755   0.39339   0.39525   0.40106
 Alpha virt. eigenvalues --    0.40325   0.40621   0.40859   0.41732   0.42466
 Alpha virt. eigenvalues --    0.42638   0.42790   0.43020   0.43878   0.44378
 Alpha virt. eigenvalues --    0.44761   0.45294   0.45713   0.46313   0.46641
 Alpha virt. eigenvalues --    0.46943   0.47269   0.48139   0.48734   0.49049
 Alpha virt. eigenvalues --    0.49282   0.49878   0.50295   0.50983   0.51326
 Alpha virt. eigenvalues --    0.51662   0.52041   0.52685   0.52757   0.53266
 Alpha virt. eigenvalues --    0.53855   0.54131   0.54945   0.55184   0.55650
 Alpha virt. eigenvalues --    0.55899   0.56469   0.56621   0.56959   0.57546
 Alpha virt. eigenvalues --    0.58094   0.58316   0.58924   0.59085   0.59708
 Alpha virt. eigenvalues --    0.59995   0.60661   0.60758   0.61208   0.61763
 Alpha virt. eigenvalues --    0.61921   0.62260   0.63109   0.63560   0.64109
 Alpha virt. eigenvalues --    0.64250   0.64548   0.64726   0.65780   0.65956
 Alpha virt. eigenvalues --    0.66483   0.66537   0.66930   0.67481   0.67716
 Alpha virt. eigenvalues --    0.68241   0.68677   0.69645   0.70106   0.70209
 Alpha virt. eigenvalues --    0.70960   0.71065   0.71577   0.71689   0.72153
 Alpha virt. eigenvalues --    0.73442   0.73474   0.74289   0.74533   0.75116
 Alpha virt. eigenvalues --    0.75632   0.76324   0.77342   0.77459   0.78076
 Alpha virt. eigenvalues --    0.78176   0.78675   0.79006   0.79291   0.80041
 Alpha virt. eigenvalues --    0.80765   0.81638   0.82027   0.82223   0.82627
 Alpha virt. eigenvalues --    0.83303   0.84044   0.84241   0.84698   0.86511
 Alpha virt. eigenvalues --    0.86813   0.87144   0.87484   0.88235   0.88704
 Alpha virt. eigenvalues --    0.89098   0.89773   0.90538   0.91360   0.92718
 Alpha virt. eigenvalues --    0.94241   0.94803   0.95084   0.96131   0.96481
 Alpha virt. eigenvalues --    0.97741   0.98443   0.98724   0.99258   1.00563
 Alpha virt. eigenvalues --    1.01606   1.02167   1.03172   1.04036   1.05535
 Alpha virt. eigenvalues --    1.06052   1.06759   1.07785   1.08059   1.09236
 Alpha virt. eigenvalues --    1.09808   1.10952   1.11235   1.13285   1.13999
 Alpha virt. eigenvalues --    1.14779   1.16153   1.17175   1.17372   1.17668
 Alpha virt. eigenvalues --    1.18616   1.19521   1.20618   1.21349   1.22575
 Alpha virt. eigenvalues --    1.23994   1.25515   1.26176   1.28097   1.29514
 Alpha virt. eigenvalues --    1.31172   1.33108   1.33295   1.34902   1.35857
 Alpha virt. eigenvalues --    1.36846   1.37113   1.37931   1.38150   1.39952
 Alpha virt. eigenvalues --    1.41044   1.43066   1.43962   1.44999   1.45628
 Alpha virt. eigenvalues --    1.46078   1.46687   1.47460   1.48080   1.48870
 Alpha virt. eigenvalues --    1.49065   1.50824   1.51164   1.52871   1.53490
 Alpha virt. eigenvalues --    1.54501   1.54911   1.55899   1.56844   1.57849
 Alpha virt. eigenvalues --    1.58253   1.58681   1.60085   1.61016   1.61980
 Alpha virt. eigenvalues --    1.62743   1.63531   1.64504   1.65402   1.66152
 Alpha virt. eigenvalues --    1.66881   1.67619   1.68729   1.69185   1.69891
 Alpha virt. eigenvalues --    1.70696   1.71094   1.71601   1.72822   1.73254
 Alpha virt. eigenvalues --    1.73623   1.75056   1.75327   1.75934   1.76959
 Alpha virt. eigenvalues --    1.79144   1.79729   1.80014   1.81545   1.82437
 Alpha virt. eigenvalues --    1.83641   1.84209   1.84810   1.85691   1.87519
 Alpha virt. eigenvalues --    1.87649   1.88017   1.89195   1.89793   1.90280
 Alpha virt. eigenvalues --    1.90916   1.91849   1.92413   1.92666   1.94047
 Alpha virt. eigenvalues --    1.94172   1.95501   1.96712   1.98008   1.98179
 Alpha virt. eigenvalues --    1.99118   2.00280   2.00682   2.01534   2.02366
 Alpha virt. eigenvalues --    2.04032   2.04307   2.06076   2.06636   2.06982
 Alpha virt. eigenvalues --    2.07992   2.09222   2.10257   2.10983   2.11345
 Alpha virt. eigenvalues --    2.12754   2.13688   2.14024   2.15007   2.16320
 Alpha virt. eigenvalues --    2.16575   2.17992   2.18573   2.19566   2.21757
 Alpha virt. eigenvalues --    2.21936   2.22607   2.24353   2.25665   2.25813
 Alpha virt. eigenvalues --    2.27604   2.28477   2.29489   2.30771   2.30903
 Alpha virt. eigenvalues --    2.31694   2.33218   2.33926   2.35527   2.37352
 Alpha virt. eigenvalues --    2.38403   2.39408   2.40832   2.43568   2.45062
 Alpha virt. eigenvalues --    2.45813   2.47441   2.48152   2.48977   2.49898
 Alpha virt. eigenvalues --    2.52646   2.53663   2.54981   2.55730   2.57679
 Alpha virt. eigenvalues --    2.59382   2.60146   2.60255   2.61096   2.64335
 Alpha virt. eigenvalues --    2.67334   2.69308   2.69700   2.71120   2.72377
 Alpha virt. eigenvalues --    2.74708   2.76507   2.78816   2.81149   2.81756
 Alpha virt. eigenvalues --    2.83845   2.86184   2.87576   2.89091   2.90033
 Alpha virt. eigenvalues --    2.94389   3.02566   3.06241   3.08145   3.10001
 Alpha virt. eigenvalues --    3.12444   3.18911   3.27291   3.32165   3.35010
 Alpha virt. eigenvalues --    3.37137   3.42445   3.42889   3.44659   3.46255
 Alpha virt. eigenvalues --    3.50026   3.53122   3.57588   3.63945   3.69631
 Alpha virt. eigenvalues --    3.73050   3.83606   3.90370   4.01491   4.77559
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   33.476259  -4.825254  -8.346123  -1.911731  -7.068605  -3.936157
     2  C   -4.825254  30.035199  -2.238536  -8.956532   6.240321 -14.901549
     3  C   -8.346123  -2.238536  34.910332  -5.730735  -4.611514  -6.921651
     4  C   -1.911731  -8.956532  -5.730735  33.521045 -13.281589   5.778694
     5  C   -7.068605   6.240321  -4.611514 -13.281589  46.651664 -16.621903
     6  C   -3.936157 -14.901549  -6.921651   5.778694 -16.621903  45.864147
     7  C    0.538560  -1.954135  -0.732129  -0.771946  -0.254744  -1.955586
     8  C   -0.389549   0.798260  -0.141322  -0.115222  -0.215397  -0.142167
     9  C    0.052083   0.000533   0.143130   0.000726  -0.017927  -0.279652
    10  C   -0.206565  -0.406781  -0.309983   0.104139  -0.040723   0.685713
    11  C   -0.310994  -0.180501   0.528878  -6.500928  -0.521441   0.116726
    12  C   -0.224708  -0.021207  -0.175554   1.085926  -1.013223   0.160778
    13  O    0.011001  -0.008048   0.007765  -0.085647   0.157708  -0.059940
    14  O    0.024759   0.014506   0.005159  -0.033640   0.117929  -0.055296
    15  H   -3.341379   0.247023   2.260426   0.192439  -0.155515  -0.181738
    16  H    2.020800   0.102574  -4.019357   0.708548   0.009524  -0.254771
    17  H    0.042190  -1.367336   0.528902   2.419256  -5.978437   2.414148
    18  H    0.611500   3.590961   0.160791  -1.636054   1.914784  -6.186504
    19  H    0.471548  -0.259066   0.256595   0.066685  -0.059592  -0.260884
    20  H   -0.774056  -0.690470  -0.325939   0.216472   0.257715   1.506090
    21  H    0.149640  -0.281316   0.073085   0.031424   0.081304   0.079457
    22  H    0.012776   0.209263   0.022863   0.017766  -0.013595  -0.005143
    23  H    0.051099   0.032204   0.014316  -0.005887   0.026694  -0.048020
    24  H   -0.045176  -0.120542  -0.011800  -0.006518  -0.007503   0.019151
    25  H    0.011065   0.091276   0.012794  -0.009390   0.017485  -0.145290
    26  H   -0.017078  -0.109021  -0.013566   0.029285   0.035050   0.225272
    27  H    0.017430   0.032149   0.086094  -0.038539  -0.016553  -0.076148
    28  H   -0.117843   0.014731   0.106326   0.836309  -0.080443  -0.040591
    29  C    0.024253  -0.173014   0.295497  -0.765476  -0.735178   0.135412
    30  H   -0.002749  -0.000678  -0.005291   0.039584  -0.030738   0.009814
    31  H    0.044784  -0.059031   0.220309  -0.899977   0.065244   0.016118
    32  H    0.074715  -0.102046   0.188106   0.023806  -0.470447  -0.035113
    33  H   -0.042609   0.062189  -0.311773   1.144827   0.197683  -0.013162
               7          8          9         10         11         12
     1  C    0.538560  -0.389549   0.052083  -0.206565  -0.310994  -0.224708
     2  C   -1.954135   0.798260   0.000533  -0.406781  -0.180501  -0.021207
     3  C   -0.732129  -0.141322   0.143130  -0.309983   0.528878  -0.175554
     4  C   -0.771946  -0.115222   0.000726   0.104139  -6.500928   1.085926
     5  C   -0.254744  -0.215397  -0.017927  -0.040723  -0.521441  -1.013223
     6  C   -1.955586  -0.142167  -0.279652   0.685713   0.116726   0.160778
     7  C   13.491787  -1.374214   0.212818   0.328558  -0.381586  -0.027091
     8  C   -1.374214  10.253784  -0.316190  -0.681426   0.045078  -0.007256
     9  C    0.212818  -0.316190   5.143992  -0.252141  -0.001484   0.000364
    10  C    0.328558  -0.681426  -0.252141   4.964526  -0.027113   0.003905
    11  C   -0.381586   0.045078  -0.001484  -0.027113  17.026435  -2.923870
    12  C   -0.027091  -0.007256   0.000364   0.003905  -2.923870   8.432975
    13  O   -0.000918  -0.000024   0.000013  -0.000003   0.139336  -0.145148
    14  O    0.001039   0.000002  -0.000000  -0.000108   0.146511  -0.362006
    15  H   -0.533008   0.026387   0.045553  -0.043757   0.131363   0.009355
    16  H    0.163590  -0.023813  -0.002354   0.005253  -0.014295  -0.052179
    17  H    0.118309  -0.006795   0.000643   0.005968  -0.072402   0.173765
    18  H   -0.064329   0.060475   0.019413  -0.067178  -0.020192   0.008159
    19  H   -1.021365   0.191026  -0.068983   0.036418  -0.013573   0.000330
    20  H   -1.127996   0.033500  -0.117105   0.030472   0.000758  -0.002839
    21  H    0.057745  -2.051588  -0.135789   0.274753   0.003576  -0.000142
    22  H   -0.234393   0.331859   0.006299  -0.088428   0.001855   0.000165
    23  H    0.051581  -0.357727   0.367286  -0.073988  -0.000309   0.000141
    24  H    0.061478   0.330990  -0.064325   0.090413  -0.000662  -0.000136
    25  H    0.109810  -0.055747   0.129793  -0.034433   0.001059   0.000469
    26  H   -0.328619   0.011589  -0.099327   0.142028  -0.001301   0.000087
    27  H   -0.121222   0.398849  -0.141208   0.079954  -0.005464  -0.000677
    28  H   -0.011505   0.003195   0.000041  -0.000665  -2.138335   0.284913
    29  C   -0.074113   0.005255   0.000346  -0.003467   0.592061   0.027329
    30  H   -0.000341   0.000071   0.000010   0.000021   0.012165  -0.069831
    31  H   -0.017125   0.002725   0.000317  -0.000140   0.901047  -0.152075
    32  H   -0.014030   0.002076  -0.000075  -0.000535  -0.301983   0.076881
    33  H    0.002593  -0.000768  -0.000031   0.000138  -0.650436   0.036624
              13         14         15         16         17         18
     1  C    0.011001   0.024759  -3.341379   2.020800   0.042190   0.611500
     2  C   -0.008048   0.014506   0.247023   0.102574  -1.367336   3.590961
     3  C    0.007765   0.005159   2.260426  -4.019357   0.528902   0.160791
     4  C   -0.085647  -0.033640   0.192439   0.708548   2.419256  -1.636054
     5  C    0.157708   0.117929  -0.155515   0.009524  -5.978437   1.914784
     6  C   -0.059940  -0.055296  -0.181738  -0.254771   2.414148  -6.186504
     7  C   -0.000918   0.001039  -0.533008   0.163590   0.118309  -0.064329
     8  C   -0.000024   0.000002   0.026387  -0.023813  -0.006795   0.060475
     9  C    0.000013  -0.000000   0.045553  -0.002354   0.000643   0.019413
    10  C   -0.000003  -0.000108  -0.043757   0.005253   0.005968  -0.067178
    11  C    0.139336   0.146511   0.131363  -0.014295  -0.072402  -0.020192
    12  C   -0.145148  -0.362006   0.009355  -0.052179   0.173765   0.008159
    13  O    8.570606   0.022830  -0.000176   0.004392  -0.044842  -0.000223
    14  O    0.022830   8.412591   0.000150   0.014187  -0.017762  -0.001281
    15  H   -0.000176   0.000150   4.012768  -0.431458   0.011402  -0.042839
    16  H    0.004392   0.014187  -0.431458   4.104208  -0.045807   0.011810
    17  H   -0.044842  -0.017762   0.011402  -0.045807   4.478113  -0.445999
    18  H   -0.000223  -0.001281  -0.042839   0.011810  -0.445999   4.448871
    19  H    0.000037  -0.000277  -0.101820   0.018538  -0.004877   0.039976
    20  H   -0.000163   0.000232   0.034442  -0.007423   0.005864  -0.192783
    21  H   -0.000029   0.000012  -0.079000   0.003428   0.001818  -0.001592
    22  H   -0.000001   0.000002   0.017995  -0.000668   0.000054  -0.000398
    23  H    0.000001   0.000001   0.003681  -0.000233   0.000123   0.010869
    24  H    0.000003   0.000001  -0.005320   0.000310  -0.000091  -0.002477
    25  H   -0.000015  -0.000024   0.000650  -0.000758   0.000237   0.003767
    26  H    0.000017   0.000009  -0.010167   0.001095  -0.000199  -0.017360
    27  H   -0.000031   0.000202   0.010785   0.002166  -0.002046  -0.008488
    28  H   -0.005325  -0.040013   0.006612  -0.235476  -0.019009   0.002390
    29  C    0.002459  -0.008375   0.005268   0.020985   0.038321   0.019409
    30  H   -0.042670   0.263160  -0.000016  -0.001065   0.002579   0.000055
    31  H    0.021876   0.007932   0.003998  -0.015578   0.016545  -0.002487
    32  H    0.002932  -0.014109  -0.002111   0.009641  -0.114439   0.010424
    33  H    0.001365   0.003464   0.000515   0.004321   0.023089  -0.002528
              19         20         21         22         23         24
     1  C    0.471548  -0.774056   0.149640   0.012776   0.051099  -0.045176
     2  C   -0.259066  -0.690470  -0.281316   0.209263   0.032204  -0.120542
     3  C    0.256595  -0.325939   0.073085   0.022863   0.014316  -0.011800
     4  C    0.066685   0.216472   0.031424   0.017766  -0.005887  -0.006518
     5  C   -0.059592   0.257715   0.081304  -0.013595   0.026694  -0.007503
     6  C   -0.260884   1.506090   0.079457  -0.005143  -0.048020   0.019151
     7  C   -1.021365  -1.127996   0.057745  -0.234393   0.051581   0.061478
     8  C    0.191026   0.033500  -2.051588   0.331859  -0.357727   0.330990
     9  C   -0.068983  -0.117105  -0.135789   0.006299   0.367286  -0.064325
    10  C    0.036418   0.030472   0.274753  -0.088428  -0.073988   0.090413
    11  C   -0.013573   0.000758   0.003576   0.001855  -0.000309  -0.000662
    12  C    0.000330  -0.002839  -0.000142   0.000165   0.000141  -0.000136
    13  O    0.000037  -0.000163  -0.000029  -0.000001   0.000001   0.000003
    14  O   -0.000277   0.000232   0.000012   0.000002   0.000001   0.000001
    15  H   -0.101820   0.034442  -0.079000   0.017995   0.003681  -0.005320
    16  H    0.018538  -0.007423   0.003428  -0.000668  -0.000233   0.000310
    17  H   -0.004877   0.005864   0.001818   0.000054   0.000123  -0.000091
    18  H    0.039976  -0.192783  -0.001592  -0.000398   0.010869  -0.002477
    19  H    2.871041  -0.473524   0.020827  -0.100740  -0.013380   0.037964
    20  H   -0.473524   3.175593   0.124793   0.014477  -0.069445   0.016523
    21  H    0.020827   0.124793   3.471087  -0.106449   0.138692  -0.120275
    22  H   -0.100740   0.014477  -0.106449   2.100336  -0.334944  -0.548201
    23  H   -0.013380  -0.069445   0.138692  -0.334944   1.925719  -0.478519
    24  H    0.037964   0.016523  -0.120275  -0.548201  -0.478519   2.202592
    25  H   -0.016994   0.013943  -0.069431   0.040606  -0.014407  -0.051251
    26  H    0.016511   0.031003   0.162500  -0.001359  -0.005110  -0.022352
    27  H    0.037634  -0.022366  -0.084353  -0.032845   0.009647   0.029803
    28  H   -0.001293   0.000042  -0.000693   0.000033   0.000062  -0.000054
    29  C    0.000349  -0.004576   0.001230   0.000183   0.000125  -0.000148
    30  H    0.000042  -0.000046  -0.000012   0.000005  -0.000002   0.000000
    31  H   -0.000706  -0.000321  -0.000181   0.000119  -0.000035  -0.000011
    32  H    0.000110  -0.001269   0.000053   0.000010  -0.000013   0.000002
    33  H    0.000289   0.000159   0.000127   0.000003   0.000011  -0.000021
              25         26         27         28         29         30
     1  C    0.011065  -0.017078   0.017430  -0.117843   0.024253  -0.002749
     2  C    0.091276  -0.109021   0.032149   0.014731  -0.173014  -0.000678
     3  C    0.012794  -0.013566   0.086094   0.106326   0.295497  -0.005291
     4  C   -0.009390   0.029285  -0.038539   0.836309  -0.765476   0.039584
     5  C    0.017485   0.035050  -0.016553  -0.080443  -0.735178  -0.030738
     6  C   -0.145290   0.225272  -0.076148  -0.040591   0.135412   0.009814
     7  C    0.109810  -0.328619  -0.121222  -0.011505  -0.074113  -0.000341
     8  C   -0.055747   0.011589   0.398849   0.003195   0.005255   0.000071
     9  C    0.129793  -0.099327  -0.141208   0.000041   0.000346   0.000010
    10  C   -0.034433   0.142028   0.079954  -0.000665  -0.003467   0.000021
    11  C    0.001059  -0.001301  -0.005464  -2.138335   0.592061   0.012165
    12  C    0.000469   0.000087  -0.000677   0.284913   0.027329  -0.069831
    13  O   -0.000015   0.000017  -0.000031  -0.005325   0.002459  -0.042670
    14  O   -0.000024   0.000009   0.000202  -0.040013  -0.008375   0.263160
    15  H    0.000650  -0.010167   0.010785   0.006612   0.005268  -0.000016
    16  H   -0.000758   0.001095   0.002166  -0.235476   0.020985  -0.001065
    17  H    0.000237  -0.000199  -0.002046  -0.019009   0.038321   0.002579
    18  H    0.003767  -0.017360  -0.008488   0.002390   0.019409   0.000055
    19  H   -0.016994   0.016511   0.037634  -0.001293   0.000349   0.000042
    20  H    0.013943   0.031003  -0.022366   0.000042  -0.004576  -0.000046
    21  H   -0.069431   0.162500  -0.084353  -0.000693   0.001230  -0.000012
    22  H    0.040606  -0.001359  -0.032845   0.000033   0.000183   0.000005
    23  H   -0.014407  -0.005110   0.009647   0.000062   0.000125  -0.000002
    24  H   -0.051251  -0.022352   0.029803  -0.000054  -0.000148   0.000000
    25  H    2.482666  -0.499716  -0.644200   0.000336   0.000487   0.000004
    26  H   -0.499716   2.038594  -0.340673  -0.000295   0.000436  -0.000003
    27  H   -0.644200  -0.340673   2.204671  -0.000942  -0.003973  -0.000030
    28  H    0.000336  -0.000295  -0.000942   2.994284   0.069273   0.009043
    29  C    0.000487   0.000436  -0.003973   0.069273   5.053113   0.012852
    30  H    0.000004  -0.000003  -0.000030   0.009043   0.012852   0.659938
    31  H    0.000051   0.000137  -0.003088  -0.031073  -0.037787  -0.000902
    32  H   -0.000110  -0.000177  -0.000978   0.108210   0.635342   0.004044
    33  H    0.000073   0.000143   0.000133   0.003235  -0.509231   0.000033
              31         32         33
     1  C    0.044784   0.074715  -0.042609
     2  C   -0.059031  -0.102046   0.062189
     3  C    0.220309   0.188106  -0.311773
     4  C   -0.899977   0.023806   1.144827
     5  C    0.065244  -0.470447   0.197683
     6  C    0.016118  -0.035113  -0.013162
     7  C   -0.017125  -0.014030   0.002593
     8  C    0.002725   0.002076  -0.000768
     9  C    0.000317  -0.000075  -0.000031
    10  C   -0.000140  -0.000535   0.000138
    11  C    0.901047  -0.301983  -0.650436
    12  C   -0.152075   0.076881   0.036624
    13  O    0.021876   0.002932   0.001365
    14  O    0.007932  -0.014109   0.003464
    15  H    0.003998  -0.002111   0.000515
    16  H   -0.015578   0.009641   0.004321
    17  H    0.016545  -0.114439   0.023089
    18  H   -0.002487   0.010424  -0.002528
    19  H   -0.000706   0.000110   0.000289
    20  H   -0.000321  -0.001269   0.000159
    21  H   -0.000181   0.000053   0.000127
    22  H    0.000119   0.000010   0.000003
    23  H   -0.000035  -0.000013   0.000011
    24  H   -0.000011   0.000002  -0.000021
    25  H    0.000051  -0.000110   0.000073
    26  H    0.000137  -0.000177   0.000143
    27  H   -0.003088  -0.000978   0.000133
    28  H   -0.031073   0.108210   0.003235
    29  C   -0.037787   0.635342  -0.509231
    30  H   -0.000902   0.004044   0.000033
    31  H    2.051935  -0.372838  -0.443581
    32  H   -0.372838   1.971654  -0.426654
    33  H   -0.443581  -0.426654   2.299993
 Mulliken charges:
               1
     1  C   -0.073887
     2  C    1.183872
     3  C    0.073902
     4  C    0.532882
     5  C    1.421963
     6  C    1.109743
     7  C    1.862528
     8  C   -0.615916
     9  C    1.373230
    10  C    1.485173
    11  C    0.420024
    12  C    0.875776
    13  O   -0.549136
    14  O   -0.501785
    15  H   -1.092511
    16  H   -1.100134
    17  H   -1.161287
    18  H   -1.220944
    19  H   -0.668846
    20  H   -0.651756
    21  H   -0.744702
    22  H   -0.309506
    23  H   -0.230233
    24  H   -0.303848
    25  H   -0.374804
    26  H   -0.227434
    27  H   -0.365694
    28  H   -0.715480
    29  C    1.375352
    30  H    0.140951
    31  H   -0.316201
    32  H   -0.251080
    33  H   -0.380214
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.166398
     2  C    1.183872
     3  C   -1.026232
     4  C    0.532882
     5  C    0.260675
     6  C   -0.111201
     7  C    0.541927
     8  C   -1.360618
     9  C    0.529643
    10  C    0.517242
    11  C   -0.295456
    12  C    0.875776
    13  O   -0.549136
    14  O   -0.360833
    29  C    0.427857
 Electronic spatial extent (au):  <R**2>=           4751.0465
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1340    Y=             -0.8184    Z=              1.1996  Tot=              1.8425
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.0129   YY=            -92.7027   ZZ=            -91.0126
   XY=             -3.8236   XZ=              4.4183   YZ=              1.5755
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1034   YY=             -0.7933   ZZ=              0.8968
   XY=             -3.8236   XZ=              4.4183   YZ=              1.5755
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             29.7663  YYY=             -7.7819  ZZZ=             -1.0691  XYY=             16.6873
  XXY=            -30.8935  XXZ=             15.2290  XZZ=              4.5291  YZZ=             -6.2107
  YYZ=             -4.0504  XYZ=             17.9491
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5322.9852 YYYY=           -651.4300 ZZZZ=           -492.1245 XXXY=           -178.7297
 XXXZ=              9.7900 YYYX=            -24.5793 YYYZ=              9.0801 ZZZX=              3.8856
 ZZZY=             -8.2031 XXYY=           -953.3330 XXZZ=           -977.2492 YYZZ=           -180.7449
 XXYZ=             79.9899 YYXZ=            -37.5032 ZZXY=            -28.6049
 N-N= 9.705219260207D+02 E-N=-3.468459414669D+03  KE= 6.529444965873D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 13:10:04 2021, MaxMem=  6442450944 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.7251   -1.7294        5.0917    5.0894
 2      1.7251    1.7294        4.7531    4.7528      -41.9294  -41.9326
 3     -5.0917   -5.0894       40.6224   40.6288       -4.7549   -4.7528
 4     -4.7531   -4.7528        0.0000    0.0000       -5.0882   -5.0894
 5      1.3070    1.3038        5.0882    5.0894       -1.7315   -1.7294
 6      4.7549    4.7528        1.7315    1.7294       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        5.1881    5.1881       15.2683   15.2683
 2    -14.2585  -14.2585       -0.0000    0.0000       15.2683   15.2683
 3    -14.2585  -14.2585        5.1881    5.1881       -0.0000    0.0000
 4      5.1881    5.1881       14.2585   14.2585     -125.7978 -125.7978
 5    -15.2683  -15.2683      121.8863  121.8863      -14.2585  -14.2585
 6      3.9115    3.9115       15.2683   15.2683       -5.1881   -5.1881
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0443    0.0000        6.9201    6.9175      -20.4397  -20.3577
 2     -6.7344   -6.9175      -19.2459  -19.0113      167.6956  167.7305
 3     20.3776   20.3577     -162.4602 -162.5151       19.0789   19.0113
 4     18.9050   19.0113       -0.0551    0.0000       20.3922   20.3577
 5     -5.1945   -5.2153      -20.5613  -20.3577        6.8646    6.9175
 6    -18.9552  -19.0113       -7.0574   -6.9175       -0.0564    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1562    0.0000      -13.1820  -12.5898       34.0112   34.2260
 2     12.7193   12.5898       -2.7009   -2.1167       11.7842   11.5463
 3    -33.8704  -34.2260      -18.5869  -17.7766        1.9877    2.1167
 4      2.2303    2.1167        0.1694    0.0000      -34.3205  -34.2260
 5      6.2514    6.2304       34.0022   34.2260      -12.9469  -12.5898
 6     -2.2442   -2.1167       12.7954   12.5898        0.0386    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.3230   -9.2548        7.6735    7.7097      -48.5221  -48.5112
 2     -2.0938   -2.0100       26.2626   26.5483      -48.6400  -48.5112
 3     -2.1066   -2.0100        7.4989    7.7097      -98.5061  -98.4378
 4    -18.8775  -18.8386       -7.2949   -7.2449       13.9803   14.0038
 5    -49.4036  -49.9266        5.3816    5.7304        7.3590    7.2449
 6    -19.5519  -19.7342       49.4393   49.9266       18.6084   18.8386
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.3036                 0.8511                 2.9036
  Dep-P Fr= 1--      0.7412                 0.7500                 0.7107
  Dep-U Fr= 1--      0.8514                 0.8571                 0.8309
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0431                 0.1216                 0.4021
 AlphaG Fr= 1--     -0.0007                 0.0001                 0.0086
 Gamma2 Fr= 1--     -0.3539                -0.3962                 0.2868
 Delta2 Fr= 1--     -0.3438                 0.1341                -0.5667
 Raman1 Fr= 1--       1.215                  3.404                 11.615
 ROA1   Fr= 1--     -44.974                -33.741                  9.398
 CID1   Fr= 1--     -37.029                 -9.911                  0.809
 Raman2 Fr= 1--       0.517                  1.459                  4.825
 ROA2   Fr= 1--      -5.743                -10.581                 11.416
 CID2   Fr= 1--     -11.108                 -7.252                  2.366
 Raman3 Fr= 1--       1.034                  2.918                  9.650
 ROA3   Fr= 1--     -44.974                -33.741                  9.398
 CID3   Fr= 1--     -43.493                -11.563                  0.974
 RC180  Fr= 1--       0.703                  0.714                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.1826                 1.1797                 2.6294
  Dep-P Fr= 1--      0.7456                 0.7396                 0.6455
  Dep-U Fr= 1--      0.8543                 0.8503                 0.7846
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0049
 Beta2  Fr= 1--      0.3108                 0.1672                 0.3438
 AlphaG Fr= 1--     -0.0002                 0.0005                -0.0008
 Gamma2 Fr= 1--      1.4412                -1.3495                 0.9896
 Delta2 Fr= 1--      1.5266                -0.6475                 0.5633
 Raman1 Fr= 1--       8.730                  4.719                 10.517
 ROA1   Fr= 1--     187.206               -150.270                113.031
 CID1   Fr= 1--      21.443                -31.845                 10.747
 Raman2 Fr= 1--       3.729                  2.006                  4.126
 ROA2   Fr= 1--      22.376                -27.207                 19.245
 CID2   Fr= 1--       6.001                -13.561                  4.664
 Raman3 Fr= 1--       7.458                  4.012                  8.252
 ROA3   Fr= 1--     187.206               -150.270                113.031
 CID3   Fr= 1--      25.101                -37.451                 13.698
 RC180  Fr= 1--       0.709                  0.701                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5369                 0.1602                 0.8543
  Dep-P Fr= 1--      0.5885                 0.6710                 0.1674
  Dep-U Fr= 1--      0.7410                 0.8031                 0.2868
 Alpha2 Fr= 1--      0.0016                 0.0002                 0.0126
 Beta2  Fr= 1--      0.0663                 0.0214                 0.0408
 AlphaG Fr= 1--     -0.0037                -0.0026                 0.0041
 Gamma2 Fr= 1--      0.3247                -0.0710                -0.0584
 Delta2 Fr= 1--      0.1725                 0.0431                 0.0589
 Raman1 Fr= 1--       2.148                  0.641                  3.417
 ROA1   Fr= 1--      36.687                 -5.441                 -3.722
 CID1   Fr= 1--      17.082                 -8.490                 -1.089
 Raman2 Fr= 1--       0.796                  0.257                  0.490
 ROA2   Fr= 1--       6.412                 -2.049                 -1.874
 CID2   Fr= 1--       8.058                 -7.964                 -3.824
 Raman3 Fr= 1--       1.591                  0.515                  0.980
 ROA3   Fr= 1--      36.687                 -5.441                 -3.722
 CID3   Fr= 1--      23.053                -10.572                 -3.798
 RC180  Fr= 1--       0.482                  0.606                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1123                 1.9192                 0.3582
  Dep-P Fr= 1--      0.4712                 0.1753                 0.7495
  Dep-U Fr= 1--      0.6406                 0.2984                 0.8568
 Alpha2 Fr= 1--      0.0006                 0.0278                 0.0000
 Beta2  Fr= 1--      0.0120                 0.0954                 0.0512
 AlphaG Fr= 1--      0.0032                 0.0055                -0.0005
 Gamma2 Fr= 1--      0.0034                -0.2187                 0.1961
 Delta2 Fr= 1--     -0.0246                -0.2070                 0.3053
 Raman1 Fr= 1--       0.449                  7.677                  1.433
 ROA1   Fr= 1--      -0.458                -27.625                 28.593
 CID1   Fr= 1--      -1.019                 -3.598                 19.954
 Raman2 Fr= 1--       0.144                  1.145                  0.614
 ROA2   Fr= 1--       0.278                 -3.594                  2.263
 CID2   Fr= 1--       1.935                 -3.138                  3.687
 Raman3 Fr= 1--       0.288                  2.290                  1.228
 ROA3   Fr= 1--      -0.458                -27.625                 28.593
 CID3   Fr= 1--      -1.591                -12.061                 23.289
 RC180  Fr= 1--       0.281                 -0.403                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.3882                 1.4241                 1.6651
  Dep-P Fr= 1--      0.0806                 0.7393                 0.7484
  Dep-U Fr= 1--      0.1492                 0.8501                 0.8561
 Alpha2 Fr= 1--      0.0255                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0345                 0.2018                 0.2376
 AlphaG Fr= 1--     -0.0029                -0.0006                -0.0004
 Gamma2 Fr= 1--     -0.1613                -0.9295                 0.7323
 Delta2 Fr= 1--      0.0490                -0.9284                 0.2489
 Raman1 Fr= 1--       5.553                  5.696                  6.660
 ROA1   Fr= 1--     -13.913               -118.943                 78.269
 CID1   Fr= 1--      -2.506                -20.880                 11.752
 Raman2 Fr= 1--       0.414                  2.421                  2.851
 ROA2   Fr= 1--      -4.262                -14.882                 15.584
 CID2   Fr= 1--     -10.292                 -6.146                  5.466
 Raman3 Fr= 1--       0.828                  4.843                  5.702
 ROA3   Fr= 1--     -13.913               -118.943                 78.269
 CID3   Fr= 1--     -16.797                -24.562                 13.727
 RC180  Fr= 1--      -0.702                  0.700                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.1800                 4.0791                 0.0229
  Dep-P Fr= 1--      0.1149                 0.1306                 0.6925
  Dep-U Fr= 1--      0.2061                 0.2310                 0.8183
 Alpha2 Fr= 1--      0.0199                 0.0662                 0.0000
 Beta2  Fr= 1--      0.0405                 0.1570                 0.0031
 AlphaG Fr= 1--      0.0190                 0.0356                 0.0027
 Gamma2 Fr= 1--      0.1039                 0.6091                -0.2854
 Delta2 Fr= 1--     -0.1308                 0.1270                -0.0057
 Raman1 Fr= 1--       4.720                 16.316                  0.092
 ROA1   Fr= 1--       5.787                 62.535                -27.578
 CID1   Fr= 1--       1.226                  3.833               -300.610
 Raman2 Fr= 1--       0.486                  1.884                  0.038
 ROA2   Fr= 1--       3.539                 13.602                 -6.802
 CID2   Fr= 1--       7.276                  7.219               -181.230
 Raman3 Fr= 1--       0.973                  3.768                  0.075
 ROA3   Fr= 1--       5.787                 62.535                -27.578
 CID3   Fr= 1--       5.949                 16.595               -367.360
 RC180  Fr= 1--      -0.588                 -0.538                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.4233                 0.9782                 0.3954
  Dep-P Fr= 1--      0.3498                 0.1652                 0.7086
  Dep-U Fr= 1--      0.5183                 0.2836                 0.8295
 Alpha2 Fr= 1--      0.0037                 0.0145                 0.0003
 Beta2  Fr= 1--      0.0366                 0.0462                 0.0547
 AlphaG Fr= 1--      0.0024                -0.0171                -0.0021
 Gamma2 Fr= 1--      0.1118                 0.5723                 0.2775
 Delta2 Fr= 1--     -0.1547                 0.2415                 0.0996
 Raman1 Fr= 1--       1.693                  3.913                  1.582
 ROA1   Fr= 1--       5.781                 62.665                 29.824
 CID1   Fr= 1--       3.414                 16.015                 18.855
 Raman2 Fr= 1--       0.439                  0.555                  0.656
 ROA2   Fr= 1--       3.920                 11.803                  5.862
 CID2   Fr= 1--       8.932                 21.271                  8.936
 Raman3 Fr= 1--       0.878                  1.110                  1.312
 ROA3   Fr= 1--       5.781                 62.665                 29.824
 CID3   Fr= 1--       6.587                 56.467                 22.732
 RC180  Fr= 1--       0.037                 -0.433                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.8156                 1.1049                 3.5399
  Dep-P Fr= 1--      0.2643                 0.7482                 0.6483
  Dep-U Fr= 1--      0.4181                 0.8560                 0.7866
 Alpha2 Fr= 1--      0.0207                 0.0000                 0.0065
 Beta2  Fr= 1--      0.1265                 0.1576                 0.4641
 AlphaG Fr= 1--     -0.0288                -0.0012                -0.0265
 Gamma2 Fr= 1--     -0.4046                -1.4231                -0.1427
 Delta2 Fr= 1--     -0.0465                -0.3293                 0.0017
 Raman1 Fr= 1--       7.262                  4.420                 14.160
 ROA1   Fr= 1--     -40.329               -147.153                -13.646
 CID1   Fr= 1--      -5.553                -33.295                 -0.964
 Raman2 Fr= 1--       1.518                  1.892                  5.569
 ROA2   Fr= 1--      -9.339                -31.519                 -3.439
 CID2   Fr= 1--      -6.151                -16.663                 -0.617
 Raman3 Fr= 1--       3.036                  3.783                 11.138
 ROA3   Fr= 1--     -40.329               -147.153                -13.646
 CID3   Fr= 1--     -13.282                -38.897                 -1.225
 RC180  Fr= 1--      -0.164                  0.712                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      5.3999                 1.6645                17.3050
  Dep-P Fr= 1--      0.4386                 0.1108                 0.0507
  Dep-U Fr= 1--      0.6098                 0.1995                 0.0966
 Alpha2 Fr= 1--      0.0346                 0.0284                 0.3412
 Beta2  Fr= 1--      0.5488                 0.0553                 0.2785
 AlphaG Fr= 1--     -0.0256                 0.0384                -0.0084
 Gamma2 Fr= 1--      0.3047                 1.2379                 0.2087
 Delta2 Fr= 1--     -0.4406                 0.3882                -0.1351
 Raman1 Fr= 1--      21.600                  6.658                 69.220
 ROA1   Fr= 1--      15.150                131.258                 15.715
 CID1   Fr= 1--       0.701                 19.714                  0.227
 Raman2 Fr= 1--       6.586                  0.664                  3.342
 ROA2   Fr= 1--      10.837                 26.603                  6.091
 CID2   Fr= 1--       1.646                 40.064                  1.823
 Raman3 Fr= 1--      13.171                  1.328                  6.683
 ROA3   Fr= 1--      15.150                131.258                 15.715
 CID3   Fr= 1--       1.150                 98.838                  2.351
 RC180  Fr= 1--       0.220                 -0.601                 -0.807
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      9.0632                 6.7789                26.2315
  Dep-P Fr= 1--      0.0636                 0.2172                 0.0491
  Dep-U Fr= 1--      0.1195                 0.3569                 0.0936
 Alpha2 Fr= 1--      0.1733                 0.0879                 0.5193
 Beta2  Fr= 1--      0.1806                 0.4033                 0.4092
 AlphaG Fr= 1--     -0.0657                -0.0790                 0.0772
 Gamma2 Fr= 1--     -0.9163                 1.7608                 1.8527
 Delta2 Fr= 1--     -0.7946                 0.9343                -0.1114
 Raman1 Fr= 1--      36.253                 27.116                104.926
 ROA1   Fr= 1--    -113.394                198.931                174.299
 CID1   Fr= 1--      -3.128                  7.336                  1.661
 Raman2 Fr= 1--       2.167                  4.839                  4.911
 ROA2   Fr= 1--     -15.636                 34.784                 45.356
 CID2   Fr= 1--      -7.216                  7.188                  9.236
 Raman3 Fr= 1--       4.334                  9.679                  9.822
 ROA3   Fr= 1--    -113.394                198.931                174.299
 CID3   Fr= 1--     -26.165                 20.554                 17.746
 RC180  Fr= 1--      -0.761                 -0.286                 -0.813
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.6052                 8.3232                 2.2548
  Dep-P Fr= 1--      0.3016                 0.2063                 0.1190
  Dep-U Fr= 1--      0.4634                 0.3421                 0.2126
 Alpha2 Fr= 1--      0.0368                 0.1111                 0.0377
 Beta2  Fr= 1--      0.2784                 0.4745                 0.0799
 AlphaG Fr= 1--     -0.0610                -0.0113                -0.0649
 Gamma2 Fr= 1--      0.3313                 0.8622                -1.6821
 Delta2 Fr= 1--     -0.6634                 0.1538                -0.6735
 Raman1 Fr= 1--      14.421                 33.293                  9.019
 ROA1   Fr= 1--      10.575                 87.692               -183.037
 CID1   Fr= 1--       0.733                  2.634                -20.295
 Raman2 Fr= 1--       3.341                  5.694                  0.959
 ROA2   Fr= 1--      13.258                 19.463                -34.983
 CID2   Fr= 1--       3.968                  3.418                -36.486
 Raman3 Fr= 1--       6.683                 11.388                  1.918
 ROA3   Fr= 1--      10.575                 87.692               -183.037
 CID3   Fr= 1--       1.582                  7.700                -95.451
 RC180  Fr= 1--      -0.073                 -0.316                 -0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      3.6694                 1.3128                 4.1417
  Dep-P Fr= 1--      0.7362                 0.4848                 0.6957
  Dep-U Fr= 1--      0.8481                 0.6530                 0.8205
 Alpha2 Fr= 1--      0.0009                 0.0069                 0.0039
 Beta2  Fr= 1--      0.5187                 0.1429                 0.5664
 AlphaG Fr= 1--     -0.0012                 0.0229                 0.0408
 Gamma2 Fr= 1--     -0.7217                -0.2407                -0.3369
 Delta2 Fr= 1--     -0.4474                -0.7647                 0.7553
 Raman1 Fr= 1--      14.678                  5.251                 16.567
 ROA1   Fr= 1--     -83.604                -47.576                 -8.173
 CID1   Fr= 1--      -5.696                 -9.060                 -0.493
 Raman2 Fr= 1--       6.224                  1.715                  6.797
 ROA2   Fr= 1--     -13.743                  0.341                -14.128
 CID2   Fr= 1--      -2.208                  0.199                 -2.079
 Raman3 Fr= 1--      12.448                  3.429                 13.594
 ROA3   Fr= 1--     -83.604                -47.576                 -8.173
 CID3   Fr= 1--      -6.716                -13.873                 -0.601
 RC180  Fr= 1--       0.696                  0.306                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.4196                 2.4642                 0.7324
  Dep-P Fr= 1--      0.7215                 0.6373                 0.6562
  Dep-U Fr= 1--      0.8382                 0.7785                 0.7925
 Alpha2 Fr= 1--      0.0012                 0.0050                 0.0012
 Beta2  Fr= 1--      0.3380                 0.3197                 0.0967
 AlphaG Fr= 1--     -0.0070                 0.0172                 0.0110
 Gamma2 Fr= 1--     -1.8358                -1.1036                 0.8425
 Delta2 Fr= 1--     -0.7419                -0.1024                -0.2239
 Raman1 Fr= 1--       9.678                  9.857                  2.930
 ROA1   Fr= 1--    -199.972               -109.227                 73.717
 CID1   Fr= 1--     -20.662                -11.081                 25.163
 Raman2 Fr= 1--       4.056                  3.837                  1.161
 ROA2   Fr= 1--     -38.123                -25.668                 22.012
 CID2   Fr= 1--      -9.398                 -6.690                 18.963
 Raman3 Fr= 1--       8.113                  7.673                  2.322
 ROA3   Fr= 1--    -199.972               -109.227                 73.717
 CID3   Fr= 1--     -24.649                -14.235                 31.753
 RC180  Fr= 1--       0.676                  0.557                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     14.3712                 0.0318                 2.9528
  Dep-P Fr= 1--      0.2708                 0.7475                 0.6914
  Dep-U Fr= 1--      0.4261                 0.8555                 0.8176
 Alpha2 Fr= 1--      0.1606                 0.0000                 0.0030
 Beta2  Fr= 1--      1.0207                 0.0045                 0.4024
 AlphaG Fr= 1--      0.0156                 0.0000                 0.0245
 Gamma2 Fr= 1--     -0.3735                -0.2024                -2.6676
 Delta2 Fr= 1--     -1.7756                 0.1310                 0.4305
 Raman1 Fr= 1--      57.485                  0.127                 11.811
 ROA1   Fr= 1--     -92.679                -15.240               -242.318
 CID1   Fr= 1--      -1.612               -119.670                -20.516
 Raman2 Fr= 1--      12.248                  0.054                  4.828
 ROA2   Fr= 1--       5.240                 -5.906                -67.467
 CID2   Fr= 1--       0.428               -108.423                -13.973
 Raman3 Fr= 1--      24.497                  0.109                  9.657
 ROA3   Fr= 1--     -92.679                -15.240               -242.318
 CID3   Fr= 1--      -3.783               -139.884                -25.094
 RC180  Fr= 1--      -0.148                  0.711                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      3.1633                 6.1628                26.2027
  Dep-P Fr= 1--      0.6309                 0.1178                 0.3602
  Dep-U Fr= 1--      0.7737                 0.2108                 0.5297
 Alpha2 Fr= 1--      0.0068                 0.1033                 0.2225
 Beta2  Fr= 1--      0.4079                 0.2165                 2.3132
 AlphaG Fr= 1--     -0.0050                 0.0978                -0.0814
 Gamma2 Fr= 1--      1.6151                -0.0534                 1.8308
 Delta2 Fr= 1--      2.2640                 0.9418                 0.9321
 Raman1 Fr= 1--      12.653                 24.651                104.811
 ROA1   Fr= 1--     227.495                 25.014                205.582
 CID1   Fr= 1--      17.979                  1.015                  1.961
 Raman2 Fr= 1--       4.895                  2.598                 27.758
 ROA2   Fr= 1--      20.650                 -8.816                 36.483
 CID2   Fr= 1--       4.219                 -3.393                  1.314
 Raman3 Fr= 1--       9.790                  5.196                 55.516
 ROA3   Fr= 1--     227.495                 25.014                205.582
 CID3   Fr= 1--      23.237                  4.814                  3.703
 RC180  Fr= 1--       0.547                 -0.578                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      2.3023                 2.1965                 4.4922
  Dep-P Fr= 1--      0.4765                 0.6666                 0.5014
  Dep-U Fr= 1--      0.6454                 0.7999                 0.6679
 Alpha2 Fr= 1--      0.0126                 0.0033                 0.0220
 Beta2  Fr= 1--      0.2477                 0.2928                 0.5001
 AlphaG Fr= 1--     -0.0160                 0.0145                -0.0068
 Gamma2 Fr= 1--     -1.7360                -2.1519                 1.8831
 Delta2 Fr= 1--     -1.0534                -0.6102                -0.6824
 Raman1 Fr= 1--       9.209                  8.786                 17.969
 ROA1   Fr= 1--    -200.364               -226.106                158.944
 CID1   Fr= 1--     -21.757                -25.735                  8.846
 Raman2 Fr= 1--       2.972                  3.514                  6.001
 ROA2   Fr= 1--     -33.236                -46.763                 50.654
 CID2   Fr= 1--     -11.184                -13.307                  8.441
 Raman3 Fr= 1--       5.944                  7.028                 12.002
 ROA3   Fr= 1--    -200.364               -226.106                158.944
 CID3   Fr= 1--     -33.711                -32.171                 13.243
 RC180  Fr= 1--       0.291                  0.600                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     62.3718                43.2132                40.2093
  Dep-P Fr= 1--      0.1078                 0.1591                 0.1338
  Dep-U Fr= 1--      0.1947                 0.2745                 0.2361
 Alpha2 Fr= 1--      1.0713                 0.6527                 0.6474
 Beta2  Fr= 1--      2.0235                 1.9772                 1.5822
 AlphaG Fr= 1--     -0.1946                -0.0552                -0.1105
 Gamma2 Fr= 1--      0.8337                 0.7144                -1.9356
 Delta2 Fr= 1--      0.3944                 0.0231                 0.2364
 Raman1 Fr= 1--     249.487                172.853                160.837
 ROA1   Fr= 1--      92.659                 69.321               -178.248
 CID1   Fr= 1--       0.371                  0.401                 -1.108
 Raman2 Fr= 1--      24.282                 23.726                 18.987
 ROA2   Fr= 1--      16.854                 16.961                -48.345
 CID2   Fr= 1--       0.694                  0.715                 -2.546
 Raman3 Fr= 1--      48.564                 47.453                 37.973
 ROA3   Fr= 1--      92.659                 69.321               -178.248
 CID3   Fr= 1--       1.908                  1.461                 -4.694
 RC180  Fr= 1--      -0.611                 -0.451                 -0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      7.6197                 5.2360                 3.8361
  Dep-P Fr= 1--      0.4965                 0.5534                 0.6844
  Dep-U Fr= 1--      0.6635                 0.7125                 0.8126
 Alpha2 Fr= 1--      0.0383                 0.0196                 0.0044
 Beta2  Fr= 1--      0.8426                 0.6218                 0.5195
 AlphaG Fr= 1--      0.0333                 0.0287                 0.0054
 Gamma2 Fr= 1--      3.5486                 3.1321                -5.0485
 Delta2 Fr= 1--     -0.2264                 1.3847                -0.6546
 Raman1 Fr= 1--      30.479                 20.944                 15.344
 ROA1   Fr= 1--     333.419                344.993               -505.603
 CID1   Fr= 1--      10.939                 16.472                -32.951
 Raman2 Fr= 1--      10.112                  7.461                  6.235
 ROA2   Fr= 1--      86.978                 64.093               -115.927
 CID2   Fr= 1--       8.602                  8.590                -18.594
 Raman3 Fr= 1--      20.223                 14.923                 12.469
 ROA3   Fr= 1--     333.419                344.993               -505.603
 CID3   Fr= 1--      16.487                 23.118                -40.549
 RC180  Fr= 1--       0.327                  0.425                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     27.4241                 5.0993                 9.4236
  Dep-P Fr= 1--      0.2813                 0.5308                 0.5872
  Dep-U Fr= 1--      0.4391                 0.6935                 0.7399
 Alpha2 Fr= 1--      0.2972                 0.0216                 0.0286
 Beta2  Fr= 1--      2.0070                 0.5894                 1.1621
 AlphaG Fr= 1--      0.0810                -0.0784                -0.0359
 Gamma2 Fr= 1--      3.3463                -8.3007                 7.6307
 Delta2 Fr= 1--     -0.2299                -2.6878                 2.9962
 Raman1 Fr= 1--     109.697                 20.397                 37.694
 ROA1   Fr= 1--     313.890               -882.873                828.427
 CID1   Fr= 1--       2.861                -43.284                 21.977
 Raman2 Fr= 1--      24.084                  7.073                 13.945
 ROA2   Fr= 1--      82.151               -177.714                159.167
 CID2   Fr= 1--       3.411                -25.126                 11.414
 Raman3 Fr= 1--      48.169                 14.146                 27.890
 ROA3   Fr= 1--     313.890               -882.873                828.427
 CID3   Fr= 1--       6.516                -62.412                 29.703
 RC180  Fr= 1--      -0.122                  0.387                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      9.8849                19.3663                 7.6059
  Dep-P Fr= 1--      0.2308                 0.4651                 0.7235
  Dep-U Fr= 1--      0.3750                 0.6349                 0.8395
 Alpha2 Fr= 1--      0.1236                 0.1116                 0.0035
 Beta2  Fr= 1--      0.6179                 2.0493                 1.0643
 AlphaG Fr= 1--     -0.2638                -0.1732                 0.0300
 Gamma2 Fr= 1--     -4.1959                -1.3932                 2.6050
 Delta2 Fr= 1--     -0.1100                 1.7609                -2.0686
 Raman1 Fr= 1--      39.540                 77.465                 30.424
 ROA1   Fr= 1--    -406.327                -77.402                183.885
 CID1   Fr= 1--     -10.276                 -0.999                  6.044
 Raman2 Fr= 1--       7.414                 24.592                 12.771
 ROA2   Fr= 1--     -99.822                -47.525                 79.070
 CID2   Fr= 1--     -13.463                 -1.933                  6.191
 Raman3 Fr= 1--      14.829                 49.184                 25.542
 ROA3   Fr= 1--    -406.327                -77.402                183.885
 CID3   Fr= 1--     -27.401                 -1.574                  7.199
 RC180  Fr= 1--      -0.250                  0.270                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1365                 1.6610                 2.2019
  Dep-P Fr= 1--      0.6964                 0.4704                 0.3904
  Dep-U Fr= 1--      0.8210                 0.6398                 0.5616
 Alpha2 Fr= 1--      0.0001                 0.0094                 0.0169
 Beta2  Fr= 1--      0.0187                 0.1771                 0.2061
 AlphaG Fr= 1--     -0.0013                 0.0132                -0.0110
 Gamma2 Fr= 1--      0.1339                -0.0471                -0.0339
 Delta2 Fr= 1--     -0.0192                 0.1141                 0.1684
 Raman1 Fr= 1--       0.546                  6.644                  8.808
 ROA1   Fr= 1--      12.240                 -0.865                  2.136
 CID1   Fr= 1--      22.414                 -0.130                  0.243
 Raman2 Fr= 1--       0.224                  2.125                  2.473
 ROA2   Fr= 1--       3.367                 -2.042                 -2.161
 CID2   Fr= 1--      15.018                 -0.961                 -0.874
 Raman3 Fr= 1--       0.448                  4.251                  4.946
 ROA3   Fr= 1--      12.240                 -0.865                  2.136
 CID3   Fr= 1--      27.301                 -0.204                  0.432
 RC180  Fr= 1--       0.642                  0.280                  0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.5848                 2.0345                11.9373
  Dep-P Fr= 1--      0.6612                 0.5776                 0.7202
  Dep-U Fr= 1--      0.7960                 0.7323                 0.8374
 Alpha2 Fr= 1--      0.0009                 0.0066                 0.0061
 Beta2  Fr= 1--      0.0776                 0.2483                 1.6660
 AlphaG Fr= 1--     -0.0223                -0.0506                 0.0070
 Gamma2 Fr= 1--      2.3239                -1.3306                -2.6532
 Delta2 Fr= 1--     -1.1475                 0.4432                 0.8710
 Raman1 Fr= 1--       2.339                  8.138                 47.749
 ROA1   Fr= 1--     186.380               -113.554               -226.837
 CID1   Fr= 1--      79.681                -13.953                 -4.751
 Raman2 Fr= 1--       0.931                  2.980                 19.992
 ROA2   Fr= 1--      64.954                -35.480                -70.646
 CID2   Fr= 1--      69.769                -11.907                 -3.534
 Raman3 Fr= 1--       1.862                  5.959                 39.983
 ROA3   Fr= 1--     186.380               -113.554               -226.837
 CID3   Fr= 1--     100.097                -19.055                 -5.673
 RC180  Fr= 1--       0.592                  0.465                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      4.9715                 3.4077                 6.1986
  Dep-P Fr= 1--      0.5815                 0.6842                 0.6098
  Dep-U Fr= 1--      0.7354                 0.8125                 0.7576
 Alpha2 Fr= 1--      0.0157                 0.0039                 0.0160
 Beta2  Fr= 1--      0.6094                 0.4614                 0.7827
 AlphaG Fr= 1--     -0.0091                -0.0149                 0.1010
 Gamma2 Fr= 1--     -0.4582                -1.3112                 2.3202
 Delta2 Fr= 1--     -1.4302                 0.4382                 1.9966
 Raman1 Fr= 1--      19.886                 13.631                 24.794
 ROA1   Fr= 1--     -89.753               -111.854                286.634
 CID1   Fr= 1--      -4.513                 -8.206                 11.561
 Raman2 Fr= 1--       7.312                  5.537                  9.392
 ROA2   Fr= 1--       0.445                -34.975                 39.713
 CID2   Fr= 1--       0.061                 -6.316                  4.228
 Raman3 Fr= 1--      14.624                 11.075                 18.784
 ROA3   Fr= 1--     -89.753               -111.854                286.634
 CID3   Fr= 1--      -6.137                -10.100                 15.259
 RC180  Fr= 1--       0.471                  0.625                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--      8.0598                 1.3691                 0.7073
  Dep-P Fr= 1--      0.7395                 0.4777                 0.7189
  Dep-U Fr= 1--      0.8502                 0.6466                 0.8365
 Alpha2 Fr= 1--      0.0014                 0.0075                 0.0004
 Beta2  Fr= 1--      1.1421                 0.1475                 0.0986
 AlphaG Fr= 1--     -0.0076                 0.0039                -0.0024
 Gamma2 Fr= 1--      0.9418                 1.7900                -0.7247
 Delta2 Fr= 1--     -0.1899                 0.4474                 0.0343
 Raman1 Fr= 1--      32.239                  5.476                  2.829
 ROA1   Fr= 1--      84.332                186.160                -68.470
 CID1   Fr= 1--       2.616                 33.994                -24.200
 Raman2 Fr= 1--      13.705                  1.770                  1.183
 ROA2   Fr= 1--      24.122                 39.382                -17.666
 CID2   Fr= 1--       1.760                 22.245                -14.929
 Raman3 Fr= 1--      27.410                  3.541                  2.367
 ROA3   Fr= 1--      84.332                186.160                -68.470
 CID3   Fr= 1--       3.077                 52.576                -28.931
 RC180  Fr= 1--       0.700                  0.293                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      1.4998               187.6161                22.2562
  Dep-P Fr= 1--      0.6397                 0.4646                 0.2028
  Dep-U Fr= 1--      0.7802                 0.6345                 0.3373
 Alpha2 Fr= 1--      0.0030                 1.0832                 0.3000
 Beta2  Fr= 1--      0.1950                19.8392                 1.2511
 AlphaG Fr= 1--      0.0296                -0.6057                -0.5884
 Gamma2 Fr= 1--      0.2084                -3.0857                -2.3036
 Delta2 Fr= 1--     -0.0613                 0.5076                 1.5016
 Raman1 Fr= 1--       5.999                750.465                 89.025
 ROA1   Fr= 1--      18.047               -279.980               -173.097
 CID1   Fr= 1--       3.008                 -0.373                 -1.944
 Raman2 Fr= 1--       2.340                238.070                 15.013
 ROA2   Fr= 1--       5.492                -78.117                -67.301
 CID2   Fr= 1--       2.346                 -0.328                 -4.483
 Raman3 Fr= 1--       4.681                476.141                 30.026
 ROA3   Fr= 1--      18.047               -279.980               -173.097
 CID3   Fr= 1--       3.855                 -0.588                 -5.765
 RC180  Fr= 1--       0.560                  0.269                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    143.4314                15.9115                31.8683
  Dep-P Fr= 1--      0.2062                 0.6944                 0.2943
  Dep-U Fr= 1--      0.3419                 0.8196                 0.4548
 Alpha2 Fr= 1--      1.9159                 0.0155                 0.3324
 Beta2  Fr= 1--      8.1740                 2.1736                 2.4156
 AlphaG Fr= 1--     -1.1767                -0.0592                 0.1687
 Gamma2 Fr= 1--    -10.8940                 4.1142                -1.4650
 Delta2 Fr= 1--     -6.4584                 2.4615                 4.1341
 Raman1 Fr= 1--     573.725                 63.646                127.473
 ROA1   Fr= 1--   -1252.489                473.730                 -8.352
 CID1   Fr= 1--      -2.183                  7.443                 -0.066
 Raman2 Fr= 1--      98.088                 26.083                 28.988
 ROA2   Fr= 1--    -209.788                 79.049                -68.233
 CID2   Fr= 1--      -2.139                  3.031                 -2.354
 Raman3 Fr= 1--     196.176                 52.165                 57.975
 ROA3   Fr= 1--   -1252.489                473.730                 -8.352
 CID3   Fr= 1--      -6.385                  9.081                 -0.144
 RC180  Fr= 1--      -0.316                  0.639                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    453.1449               243.4794                33.2573
  Dep-P Fr= 1--      0.0108                 0.0722                 0.7065
  Dep-U Fr= 1--      0.0215                 0.1347                 0.8280
 Alpha2 Fr= 1--      9.8177                 4.5602                 0.0251
 Beta2  Fr= 1--      1.6209                 5.4674                 4.5896
 AlphaG Fr= 1--      1.3771                -0.5485                 0.1948
 Gamma2 Fr= 1--      1.8123                -0.6078                -0.7908
 Delta2 Fr= 1--     -0.0359                 4.0599                -2.3702
 Raman1 Fr= 1--    1812.579                973.918                133.029
 ROA1   Fr= 1--     172.835                 71.569               -151.759
 CID1   Fr= 1--       0.095                  0.073                 -1.141
 Raman2 Fr= 1--      19.451                 65.609                 55.075
 ROA2   Fr= 1--      43.783                -47.066                 -0.017
 CID2   Fr= 1--       2.251                 -0.717                 -0.000
 Raman3 Fr= 1--      38.902                131.219                110.151
 ROA3   Fr= 1--     172.835                 71.569               -151.759
 CID3   Fr= 1--       4.443                  0.545                 -1.378
 RC180  Fr= 1--      -0.957                 -0.731                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     69.2083                25.1198               125.2280
  Dep-P Fr= 1--      0.2081                 0.7393                 0.4462
  Dep-U Fr= 1--      0.3445                 0.8501                 0.6171
 Alpha2 Fr= 1--      0.9199                 0.0046                 0.7794
 Beta2  Fr= 1--      3.9735                 3.5591                12.8791
 AlphaG Fr= 1--     -0.3792                 0.0389                 1.5278
 Gamma2 Fr= 1--     -3.2691                10.0600                -5.9102
 Delta2 Fr= 1--     -2.2472                -4.4815                16.7702
 Raman1 Fr= 1--     276.833                100.479                500.912
 ROA1   Fr= 1--    -385.745                822.357                -30.727
 CID1   Fr= 1--      -1.393                  8.184                 -0.061
 Raman2 Fr= 1--      47.682                 42.709                154.550
 ROA2   Fr= 1--     -60.481                277.293               -276.006
 CID2   Fr= 1--      -1.268                  6.493                 -1.786
 Raman3 Fr= 1--      95.364                 85.418                309.099
 ROA3   Fr= 1--    -385.745                822.357                -30.727
 CID3   Fr= 1--      -4.045                  9.627                 -0.099
 RC180  Fr= 1--      -0.311                  0.700                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    141.1480                58.4246               125.8067
  Dep-P Fr= 1--      0.6514                 0.7051                 0.6583
  Dep-U Fr= 1--      0.7889                 0.8271                 0.7939
 Alpha2 Fr= 1--      0.2496                 0.0456                 0.2062
 Beta2  Fr= 1--     18.5594                 8.0534                16.6468
 AlphaG Fr= 1--      0.3255                 0.1551                 0.1012
 Gamma2 Fr= 1--     -3.2321                11.8124                -3.5924
 Delta2 Fr= 1--     -9.5342                 0.2604                -4.6171
 Raman1 Fr= 1--     564.592                233.698                503.227
 ROA1   Fr= 1--    -615.375               1142.322               -492.615
 CID1   Fr= 1--      -1.090                  4.888                 -0.979
 Raman2 Fr= 1--     222.713                 96.641                199.762
 ROA2   Fr= 1--      -1.296                281.414                -49.280
 CID2   Fr= 1--      -0.006                  2.912                 -0.247
 Raman3 Fr= 1--     445.425                193.282                399.524
 ROA3   Fr= 1--    -615.375               1142.322               -492.615
 CID3   Fr= 1--      -1.382                  5.910                 -1.233
 RC180  Fr= 1--       0.578                  0.654                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     29.2704                60.7648                55.8519
  Dep-P Fr= 1--      0.6660                 0.6922                 0.6033
  Dep-U Fr= 1--      0.7995                 0.8181                 0.7526
 Alpha2 Fr= 1--      0.0437                 0.0616                 0.1514
 Beta2  Fr= 1--      3.9004                 8.2850                 7.0057
 AlphaG Fr= 1--     -0.0168                -0.0438                 0.2519
 Gamma2 Fr= 1--      0.3981                -4.3344                 4.2874
 Delta2 Fr= 1--      2.1255                 2.7822                 1.0405
 Raman1 Fr= 1--     117.082                243.059                223.408
 ROA1   Fr= 1--     106.228               -327.075                444.889
 CID1   Fr= 1--       0.907                 -1.346                  1.991
 Raman2 Fr= 1--      46.804                 99.420                 84.069
 ROA2   Fr= 1--      -7.450               -126.284                 94.574
 CID2   Fr= 1--      -0.159                 -1.270                  1.125
 Raman3 Fr= 1--      93.609                198.840                168.138
 ROA3   Fr= 1--     106.228               -327.075                444.889
 CID3   Fr= 1--       1.135                 -1.645                  2.646
 RC180  Fr= 1--       0.599                  0.636                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    126.4191               121.2704               183.9902
  Dep-P Fr= 1--      0.1617                 0.1405                 0.2585
  Dep-U Fr= 1--      0.2784                 0.2464                 0.4108
 Alpha2 Fr= 1--      1.8968                 1.9204                 2.1290
 Beta2  Fr= 1--      5.8663                 4.9792                12.5981
 AlphaG Fr= 1--     -1.0682                 0.2177                -0.3312
 Gamma2 Fr= 1--     -6.9481                 5.8891                -6.7850
 Delta2 Fr= 1--     -2.7109                 1.1944                 0.4588
 Raman1 Fr= 1--     505.676                485.082                735.961
 ROA1   Fr= 1--    -753.769                603.578               -636.676
 CID1   Fr= 1--      -1.491                  1.244                 -0.865
 Raman2 Fr= 1--      70.396                 59.751                151.178
 ROA2   Fr= 1--    -145.068                131.785               -166.510
 CID2   Fr= 1--      -2.061                  2.206                 -1.101
 Raman3 Fr= 1--     140.792                119.501                302.355
 ROA3   Fr= 1--    -753.769                603.578               -636.676
 CID3   Fr= 1--      -5.354                  5.051                 -2.106
 RC180  Fr= 1--      -0.443                 -0.507                 -0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229539D+03  0.101789D+02  0.345876D+01
      2   0.101789D+02  0.145674D+03 -0.950565D+01
      3   0.345876D+01 -0.950565D+01  0.148281D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.406182D+01  0.419610D+01 -0.435656D+01
      2  -0.384221D+02 -0.171132D+01 -0.480241D+02
      3  -0.823324D+01  0.459074D+02 -0.482650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.280496D+03 -0.299702D+02 -0.609695D+02
      2   0.135621D+03  0.333922D+02  0.374683D+02
      3   0.144876D+03 -0.342197D+01  0.235013D+02
      4   0.111758D+02 -0.890869D+02  0.968869D+01
      5  -0.106925D+02  0.110676D+02 -0.870769D+02
      6   0.153117D+02  0.378187D+02  0.188855D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108175D+02  0.186809D+01  0.168445D+01 -0.337059D+01 -0.236742D+00
      2   0.186809D+01 -0.106176D+01  0.743827D+00 -0.236742D+00 -0.422961D+01
      3   0.168445D+01  0.743827D+00 -0.377461D+01 -0.243016D+01  0.803732D+00
                 6             7             8             9            10 
      1  -0.243016D+01  0.156497D+02  0.394726D+00  0.140735D+01 -0.338040D+02
      2   0.803732D+00  0.394726D+00 -0.134458D+01  0.150981D+01 -0.199979D+01
      3   0.713201D+00  0.140735D+01  0.150981D+01  0.135569D+01 -0.279192D+01
                11            12            13            14            15 
      1  -0.199979D+01 -0.279192D+01 -0.389150D+01 -0.427749D+01 -0.204340D+01
      2  -0.201926D+01  0.700805D+00 -0.427749D+01 -0.220943D+01 -0.641195D+00
      3   0.700805D+00 -0.280289D+01 -0.204340D+01 -0.641195D+00 -0.169310D+01
                16            17            18            19            20 
      1  -0.699476D+01 -0.223831D+01 -0.223846D+01 -0.137838D+02 -0.282576D+01
      2  -0.223831D+01 -0.661647D+00 -0.751376D+00 -0.282576D+01  0.280092D+01
      3  -0.223846D+01 -0.751376D+00 -0.118260D+01 -0.204786D+01 -0.186162D+01
                21            22            23            24            25 
      1  -0.204786D+01 -0.128480D+02 -0.126142D+00 -0.240905D+00  0.839603D+01
      2  -0.186162D+01 -0.126142D+00 -0.253104D+01  0.112245D+01  0.256076D+01
      3   0.980755D+00 -0.240905D+00  0.112245D+01  0.289547D+01 -0.302535D+00
                26            27            28            29            30 
      1   0.256076D+01 -0.302535D+00  0.309851D+02  0.393533D+01  0.327366D+01
      2   0.101793D+01  0.171951D+01  0.393533D+01  0.245263D+01  0.751544D-01
      3   0.171951D+01  0.302791D+01  0.327366D+01  0.751544D-01  0.283019D+01
                31            32            33            34            35 
      1   0.413614D+01  0.435378D+01  0.250469D+01  0.396459D+01  0.282695D+01
      2   0.435378D+01  0.185381D+01  0.143231D+01  0.282695D+01  0.169013D+01
      3   0.250469D+01  0.143231D+01  0.128443D+01  0.273574D+01 -0.542452D+00
                36            37            38            39            40 
      1   0.273574D+01 -0.973559D+01 -0.185659D+01 -0.209388D+01  0.438044D+01
      2  -0.542452D+00 -0.185659D+01  0.542063D+00 -0.138697D+00  0.103809D+01
      3   0.943838D+00 -0.209388D+01 -0.138697D+00  0.348413D+01  0.190189D+01
                41            42            43            44            45 
      1   0.103809D+01  0.190189D+01 -0.157800D+02 -0.168820D+01 -0.134672D+01
      2   0.394719D+01 -0.104146D+01 -0.168820D+01 -0.150431D+00 -0.897434D+00
      3  -0.104146D+01 -0.830630D+00 -0.134672D+01 -0.897434D+00 -0.182727D+01
                46            47            48            49            50 
      1   0.126685D+02  0.243452D+01  0.171836D+01  0.120402D+02 -0.499769D+00
      2   0.243452D+01 -0.174900D+01  0.936790D+00 -0.499769D+00  0.222556D+01
      3   0.171836D+01  0.936790D+00 -0.350945D+00  0.117279D+01 -0.160168D+01
                51            52            53            54            55 
      1   0.117279D+01 -0.829532D+01 -0.174373D+01  0.328728D+00  0.213049D+02
      2  -0.160168D+01 -0.174373D+01 -0.975689D+00 -0.144877D+01 -0.966648D+00
      3  -0.252621D+01  0.328728D+00 -0.144877D+01 -0.282400D+01  0.260889D+00
                56            57            58            59            60 
      1  -0.966648D+00  0.260889D+00 -0.524296D+01  0.541360D+01  0.100174D+01
      2   0.256105D+01  0.511132D+00  0.541360D+01  0.608642D+01 -0.236963D+00
      3   0.511132D+00  0.118374D+01  0.100174D+01 -0.236963D+00 -0.116226D+01
                61            62            63            64            65 
      1  -0.766029D+01  0.123825D+01  0.264063D+01 -0.413090D+01  0.464532D+01
      2   0.123825D+01 -0.195187D+01 -0.390792D+00  0.464532D+01 -0.223721D+01
      3   0.264063D+01 -0.390792D+00  0.597477D+01  0.118596D+01 -0.532213D+00
                66            67            68            69            70 
      1   0.118596D+01  0.136473D+02 -0.356686D+01 -0.440226D+00  0.104331D+02
      2  -0.532213D+00 -0.356686D+01 -0.534749D+01  0.632142D+00 -0.677419D+00
      3  -0.236557D+01 -0.440226D+00  0.632142D+00  0.193820D+01 -0.346612D+01
                71            72            73            74            75 
      1  -0.677419D+00 -0.346612D+01 -0.343396D+01 -0.393932D+01 -0.232755D+01
      2   0.172633D+01  0.194641D+01 -0.393932D+01  0.183653D+01  0.736621D+00
      3   0.194641D+01 -0.782342D+01 -0.232755D+01  0.736621D+00  0.273280D+01
                76            77            78            79            80 
      1  -0.673068D+01  0.386584D+01  0.982190D+00 -0.490406D+01  0.898508D+00
      2   0.386584D+01  0.616406D+01 -0.218383D+01  0.898508D+00 -0.248771D+01
      3   0.982190D+00 -0.218383D+01 -0.174719D+01  0.463496D+01 -0.130013D+01
                81            82            83            84            85 
      1   0.463496D+01 -0.348408D+01 -0.465344D+01 -0.286412D+01 -0.555050D+01
      2  -0.130013D+01 -0.465344D+01  0.216646D+01  0.942634D+00  0.237141D+01
      3   0.512897D+01 -0.286412D+01  0.942634D+00  0.188477D+01  0.887779D+00
                86            87            88            89            90 
      1   0.237141D+01  0.887779D+00 -0.458374D+01  0.104575D+01  0.284858D+01
      2   0.289014D+01 -0.144734D+01  0.104575D+01 -0.253003D+01 -0.338499D+01
      3  -0.144734D+01 -0.225984D+01  0.284858D+01 -0.338499D+01  0.488476D+01
                91            92            93            94            95 
      1  -0.682816D+01  0.815147D+00 -0.935290D-01  0.572548D+00 -0.574384D+01
      2   0.815147D+00 -0.267556D+01 -0.103869D+01 -0.574384D+01 -0.412085D+01
      3  -0.935290D-01 -0.103869D+01 -0.164162D+01 -0.306657D+01 -0.278780D+01
                96            97            98            99           100 
      1  -0.306657D+01  0.544649D+01 -0.241337D+01 -0.331424D+01 -0.268663D+01
      2  -0.278780D+01 -0.241337D+01 -0.745286D+00  0.310644D+01 -0.201214D+01
      3   0.178352D+01 -0.331424D+01  0.310644D+01 -0.173223D+01  0.109069D+01
               101           102           103           104           105 
      1  -0.201214D+01  0.109069D+01 -0.487381D+01  0.903188D+00  0.395918D+01
      2   0.291345D+00  0.151904D+01  0.903188D+00  0.335116D+00 -0.169884D+00
      3   0.151904D+01  0.693999D+00  0.395918D+01 -0.169884D+00 -0.432157D+01
               106           107           108           109           110 
      1   0.336826D+01  0.227677D+01 -0.728118D+00  0.585672D+01  0.240865D+01
      2   0.227677D+01 -0.852317D-01 -0.289506D+01  0.240865D+01  0.127751D+01
      3  -0.728118D+00 -0.289506D+01  0.157589D+01 -0.343068D+01 -0.987276D+00
               111           112           113           114           115 
      1  -0.343068D+01  0.707802D+01  0.191124D+01 -0.241227D+01 -0.101640D+02
      2  -0.987276D+00  0.191124D+01  0.409390D+01 -0.181295D+01 -0.133345D+01
      3   0.144064D+01 -0.241227D+01 -0.181295D+01  0.315754D+01  0.407238D+01
               116           117           118           119           120 
      1  -0.133345D+01  0.407238D+01 -0.692149D+00  0.321961D+00  0.235534D+01
      2  -0.266724D+01  0.237705D+01  0.321961D+00 -0.174390D+01 -0.187428D+01
      3   0.237705D+01 -0.684528D+01  0.235534D+01 -0.187428D+01 -0.177047D+01
               121           122           123           124           125 
      1  -0.355279D+01  0.253457D-01 -0.203188D+01  0.510577D+01 -0.356933D+01
      2   0.253457D-01 -0.401688D+01  0.181024D+01 -0.356933D+01  0.401752D+01
      3  -0.203188D+01  0.181024D+01  0.139922D+01 -0.182028D+01  0.987933D+00
               126           127           128           129           130 
      1  -0.182028D+01 -0.351567D+01 -0.196205D+01  0.185697D+01 -0.216622D+01
      2   0.987933D+00 -0.196205D+01 -0.179119D+01  0.145609D+01 -0.176727D+01
      3   0.314568D+01  0.185697D+01  0.145609D+01 -0.148390D+01  0.191367D+01
               131           132           133           134           135 
      1  -0.176727D+01  0.191367D+01  0.234508D+01  0.163735D+01 -0.206472D+01
      2  -0.227884D+01  0.195581D+01  0.163735D+01  0.253393D+01 -0.248110D+01
      3   0.195581D+01 -0.249446D+01 -0.206472D+01 -0.248110D+01  0.342582D+01
               136           137           138           139           140 
      1   0.191936D+01 -0.615698D+00  0.211335D+01 -0.671594D+00  0.389213D+00
      2  -0.615698D+00  0.382258D+00 -0.688594D+00  0.389213D+00 -0.118923D+01
      3   0.211335D+01 -0.688594D+00  0.235603D+01 -0.932807D+00  0.142164D+01
               141           142           143           144           145 
      1  -0.932807D+00  0.194222D+01 -0.124123D+01  0.267704D+01  0.361161D+01
      2   0.142164D+01 -0.124123D+01  0.187162D+01 -0.284124D+01  0.150705D+01
      3  -0.319928D+01  0.267704D+01 -0.284124D+01  0.672364D+01 -0.151072D+01
               146           147           148           149           150 
      1   0.150705D+01 -0.151072D+01  0.175292D+01  0.122152D+01 -0.150754D+01
      2   0.120454D+01 -0.870777D+00  0.122152D+01  0.143872D+01 -0.135746D+01
      3  -0.870777D+00  0.130392D+01 -0.150754D+01 -0.135746D+01  0.206196D+01
               151           152           153           154           155 
      1  -0.207178D+01 -0.130687D+01  0.190712D+01 -0.174535D+01  0.591735D+00
      2  -0.130687D+01 -0.191426D+01  0.188549D+01  0.591735D+00 -0.230423D+00
      3   0.190712D+01  0.188549D+01 -0.323828D+01 -0.190207D+01  0.504840D+00
               156           157           158           159           160 
      1  -0.190207D+01  0.343338D+00 -0.280205D+00  0.691195D+00 -0.232357D+01
      2   0.504840D+00 -0.280205D+00  0.789219D+00 -0.113647D+01  0.109082D+01
      3  -0.215472D+01  0.691195D+00 -0.113647D+01  0.282892D+01 -0.265417D+01
               161           162           163           164           165 
      1   0.109082D+01 -0.265417D+01 -0.373408D+01 -0.170110D+01  0.151480D+00
      2  -0.145555D+01  0.227646D+01 -0.170110D+01 -0.178266D+01 -0.285789D+00
      3   0.227646D+01 -0.665957D+01  0.151480D+00 -0.285789D+00 -0.212262D+00
               166           167           168           169           170 
      1  -0.482577D+01 -0.350024D+01 -0.537510D+00  0.445377D+01  0.401901D+00
      2  -0.350024D+01 -0.859455D+01 -0.485975D+00  0.401901D+00  0.114488D+01
      3  -0.537510D+00 -0.485975D+00 -0.715300D+00 -0.488925D+00 -0.873448D+00
               171           172           173           174           175 
      1  -0.488925D+00 -0.114218D+01  0.287760D+00 -0.127752D+01  0.262536D+01
      2  -0.873448D+00  0.287760D+00 -0.459772D+00 -0.204395D+00 -0.690139D+00
      3  -0.276251D+00 -0.127752D+01 -0.204395D+00 -0.124048D+01  0.332290D+00
               176           177           178           179           180 
      1  -0.690139D+00  0.332290D+00 -0.309097D+01 -0.207248D+00 -0.218736D+01
      2  -0.386707D+00 -0.753582D+00 -0.207248D+00 -0.956618D+00 -0.797581D+00
      3  -0.753582D+00  0.863329D+00 -0.218736D+01 -0.797581D+00 -0.698761D+01
               181           182           183           184           185 
      1   0.111061D+01 -0.106707D+01  0.104242D+01 -0.217076D+01  0.304296D+00
      2  -0.106707D+01  0.410344D+00  0.491629D-01  0.304296D+00  0.815789D-01
      3   0.104242D+01  0.491629D-01  0.709280D+00 -0.142733D+00  0.866093D+00
               186           187           188           189           190 
      1  -0.142733D+00  0.187910D+01 -0.394970D-01  0.430920D+00 -0.939623D+00
      2   0.866093D+00 -0.394970D-01  0.126975D+01 -0.860643D+00 -0.122995D+01
      3  -0.891978D+00  0.430920D+00 -0.860643D+00  0.737849D+01  0.472102D+00
               191           192           193           194           195 
      1  -0.122995D+01  0.472102D+00 -0.346503D+01 -0.357864D+01  0.364303D+00
      2  -0.129747D+01  0.163948D+00 -0.357864D+01 -0.831959D+01  0.117308D+01
      3   0.163948D+00 -0.460603D+00  0.364303D+00  0.117308D+01 -0.111222D+01
               196           197           198           199           200 
      1   0.119666D+01  0.511441D+00 -0.115290D+01 -0.171437D+01  0.332985D+00
      2   0.511441D+00  0.157875D+01 -0.101134D+01  0.332985D+00 -0.392799D+00
      3  -0.115290D+01 -0.101134D+01  0.260785D+00 -0.125370D+01 -0.187385D-01
               201           202           203           204           205 
      1  -0.125370D+01  0.118956D+01 -0.954916D+00  0.283864D+00 -0.394767D+01
      2  -0.187385D-01 -0.954916D+00 -0.283996D+00 -0.637121D+00 -0.256621D+00
      3  -0.147712D+01  0.283864D+00 -0.637121D+00  0.779696D+00 -0.345668D+01
               206           207           208           209           210 
      1  -0.256621D+00 -0.345668D+01 -0.750255D+01  0.214362D+01  0.249536D+01
      2  -0.109909D+01  0.190334D+00  0.214362D+01 -0.143666D+01 -0.793970D+00
      3   0.190334D+00 -0.671417D+01  0.249536D+01 -0.793970D+00 -0.173579D+01
               211           212           213           214           215 
      1   0.566008D+01 -0.243833D+01 -0.135355D+01  0.545153D+01 -0.108574D+01
      2  -0.243833D+01  0.139952D+01  0.117368D+01 -0.108574D+01  0.145711D+01
      3  -0.135355D+01  0.117368D+01  0.136432D+01 -0.295832D+01  0.102202D+01
               216           217           218           219           220 
      1  -0.295832D+01 -0.442595D+01  0.341323D+01  0.180007D+01  0.262304D+01
      2   0.102202D+01  0.341323D+01 -0.340458D+01 -0.119640D+01 -0.310637D+01
      3   0.178112D+01  0.180007D+01 -0.119640D+01 -0.145140D+01 -0.120989D+01
               221           222           223           224           225 
      1  -0.310637D+01 -0.120989D+01  0.304001D+01 -0.201966D+01 -0.198465D+01
      2   0.410583D+01  0.174358D+01 -0.201966D+01  0.298144D+01  0.212381D+01
      3   0.174358D+01  0.138765D+01 -0.198465D+01  0.212381D+01  0.172071D+01
               226           227           228           229           230 
      1  -0.471314D+00  0.942097D+00 -0.779467D+00  0.711811D+00 -0.582302D+00
      2   0.942097D+00 -0.748214D+00  0.250907D+00 -0.582302D+00  0.117015D+01
      3  -0.779467D+00  0.250907D+00 -0.109311D+01  0.187283D+00 -0.100962D+01
               231           232           233           234           235 
      1   0.187283D+00 -0.167663D+01  0.710524D+00 -0.150042D+01  0.829861D+01
      2  -0.100962D+01  0.710524D+00 -0.243986D+01  0.239595D+01  0.133374D+01
      3   0.113520D+01 -0.150042D+01  0.239595D+01 -0.621582D+01  0.117650D+01
               236           237           238           239           240 
      1   0.133374D+01  0.117650D+01  0.113133D+01  0.132298D+01  0.185935D+00
      2   0.248441D+01  0.321624D+00  0.132298D+01  0.139114D+01  0.437379D+00
      3   0.321624D+00  0.708555D+00  0.185935D+00  0.437379D+00  0.687847D+00
               241           242           243           244           245 
      1   0.117862D+01  0.360757D+00  0.348418D+00 -0.359252D+00 -0.111754D+01
      2   0.360757D+00  0.810121D+00  0.910420D+00 -0.111754D+01  0.560107D+00
      3   0.348418D+00  0.910420D+00  0.157143D+00  0.120936D+01 -0.240942D+00
               246           247           248           249           250 
      1   0.120936D+01 -0.196655D+01  0.969698D+00 -0.459399D+00  0.210097D+01
      2  -0.240942D+00  0.969698D+00 -0.138574D+01  0.150975D+01 -0.211288D+00
      3   0.111133D+01 -0.459399D+00  0.150975D+01 -0.196958D+01  0.202255D+01
               251           252           253           254           255 
      1  -0.211288D+00  0.202255D+01 -0.874626D+01 -0.454936D+01 -0.450287D+01
      2   0.183458D+01 -0.157563D+01 -0.454936D+01  0.100268D+01  0.363447D+00
      3  -0.157563D+01  0.529766D+01 -0.450287D+01  0.363447D+00  0.169588D+01
               256           257           258           259           260 
      1   0.206533D+01  0.397873D+01  0.136168D+01 -0.388702D+01  0.642697D+00
      2   0.397873D+01  0.438750D+01  0.240829D+01  0.642697D+00  0.145323D+01
      3   0.136168D+01  0.240829D+01 -0.173667D+01  0.197526D+01 -0.323424D+01
               261           262           263           264           265 
      1   0.197526D+01  0.432721D+01 -0.314301D+01 -0.203328D+01 -0.193943D+01
      2  -0.323424D+01 -0.314301D+01  0.283599D+01  0.143244D+01  0.231217D+01
      3   0.240267D-01 -0.203328D+01  0.143244D+01  0.176713D+01  0.113841D+01
               266           267           268           269           270 
      1   0.231217D+01  0.113841D+01 -0.411926D+01  0.330166D+01  0.322197D+01
      2  -0.340849D+01 -0.131146D+01  0.330166D+01 -0.367110D+01 -0.273550D+01
      3  -0.131146D+01 -0.133863D+01  0.322197D+01 -0.273550D+01 -0.329798D+01
               271           272           273           274           275 
      1  -0.144567D+01  0.125030D+01  0.174195D+01  0.542757D+00 -0.812505D+00
      2   0.125030D+01 -0.216929D+01 -0.148149D+01 -0.812505D+00  0.172225D+01
      3   0.174195D+01 -0.148149D+01 -0.226187D+01 -0.553799D+00  0.124024D+01
               276           277           278           279           280 
      1  -0.553799D+00  0.205440D+01 -0.531990D+00 -0.114386D+01  0.442370D+00
      2   0.124024D+01 -0.531990D+00  0.234442D+01  0.267564D+01  0.728135D+00
      3   0.149816D+01 -0.114386D+01  0.267564D+01  0.426260D+01 -0.283749D+00
               281           282           283           284           285 
      1   0.728135D+00 -0.283749D+00  0.851262D+00  0.223176D-02 -0.412731D-01
      2  -0.690228D+00  0.803062D-01  0.223176D-02  0.301213D+01 -0.161287D+01
      3   0.803062D-01 -0.441232D+00 -0.412731D-01 -0.161287D+01  0.177843D+01
               286           287           288           289           290 
      1  -0.161111D+01 -0.508178D+00 -0.409176D+00  0.129790D+02  0.467978D+01
      2  -0.508178D+00 -0.342459D+01  0.165604D+01  0.467978D+01  0.308112D+01
      3  -0.409176D+00  0.165604D+01 -0.290510D+01  0.356400D+01  0.142509D+01
               291           292           293           294           295 
      1   0.356400D+01  0.191471D+01  0.177846D+01  0.535032D+00  0.310389D+01
      2   0.142509D+01  0.177846D+01  0.120821D+01  0.497233D+00  0.117327D+01
      3   0.183543D+01  0.535032D+00  0.497233D+00  0.441809D+00  0.196602D+01
               296           297 
      1   0.117327D+01  0.196602D+01
      2   0.829017D+00  0.123840D+01
      3   0.123840D+01  0.146009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188669D+01 -0.101471D+01 -0.266437D+01 -0.709052D+01 -0.158109D+01
      2   0.292466D+01 -0.214773D+01  0.236090D+01 -0.617007D+01  0.172305D+01
      3  -0.656246D+01 -0.394367D+01  0.118652D+00  0.113926D+02 -0.121161D+01
                 6             7             8             9            10 
      1  -0.388938D+01 -0.520770D+01  0.259313D+01 -0.648234D+00 -0.705644D+00
      2  -0.123833D+01 -0.452191D+01 -0.139704D+01  0.123534D-02  0.528602D+01
      3   0.309336D+01 -0.367839D+01 -0.138576D+01  0.349327D+01  0.138840D+02
                11            12            13            14            15 
      1  -0.173272D+01  0.134505D+01 -0.584527D+01  0.498449D+01 -0.712606D+01
      2   0.118507D+01 -0.373489D+01  0.820434D+01  0.302488D+01 -0.261521D+01
      3   0.156211D+01  0.818211D+00  0.163494D+02  0.136770D+01  0.130787D+01
                16            17            18            19            20 
      1   0.786664D+01  0.392259D+00 -0.562430D+01 -0.164201D+01  0.154323D+01
      2  -0.230339D+02 -0.237571D+01  0.112367D+01  0.630800D+00 -0.238772D+01
      3  -0.461495D+01  0.114090D+01 -0.133329D+01  0.203649D+01 -0.535781D+00
                21            22            23            24            25 
      1  -0.808695D+00  0.424875D+01  0.106341D+01  0.174452D+00  0.306895D+01
      2   0.826146D+01  0.385590D+01 -0.327509D+01  0.328962D+01 -0.914027D+01
      3   0.355134D+01  0.123141D+02  0.347592D+01  0.888152D+00  0.243699D+01
                26            27            28            29            30 
      1   0.360309D+01  0.410722D+01  0.116415D+01 -0.170478D+01  0.479115D+01
      2   0.234800D+00  0.210645D+00 -0.568993D+01  0.107559D+01 -0.340180D+01
      3  -0.268151D+00 -0.242084D+01 -0.134142D+02 -0.219781D+01 -0.316939D+01
                31            32            33            34            35 
      1  -0.166039D+01  0.541526D+01 -0.561449D+01  0.958790D+01  0.237410D+01
      2   0.693294D+01  0.299948D+01 -0.409840D+01 -0.237801D+02 -0.693193D+01
      3   0.154834D+02  0.140083D+01 -0.172030D+01 -0.110209D+02 -0.610718D+00
                36            37            38            39            40 
      1  -0.415891D+01  0.741050D+00 -0.150293D+01  0.417288D+00 -0.504123D+01
      2  -0.413681D+01  0.899141D+01 -0.841295D+00  0.318224D+01 -0.794622D+01
      3  -0.120763D+01  0.378011D+01 -0.170951D+01  0.287898D+01  0.935948D+01
                41            42            43            44            45 
      1  -0.272035D+01 -0.349458D+01 -0.423317D+01  0.142724D+01 -0.257441D+01
      2   0.114453D+01 -0.222183D+01  0.207515D+01 -0.235282D+00  0.322984D+00
      3  -0.781436D+00  0.289336D+01  0.950639D+01  0.141671D+01  0.526649D+01
                46            47            48            49            50 
      1  -0.375850D+00  0.284365D+01 -0.130191D+01  0.646800D+01  0.479077D+00
      2  -0.468049D+01 -0.378445D+01  0.841120D+01 -0.668957D+01 -0.353187D+01
      3  -0.129230D+02 -0.337558D+01  0.186260D+01  0.630379D+01  0.133697D+01
                51            52            53            54            55 
      1  -0.198520D+01  0.275139D+01  0.283022D+01  0.100215D+01 -0.220020D+01
      2   0.482155D+01 -0.547412D+01  0.798539D+00 -0.112466D+01  0.424085D+01
      3  -0.129744D+01  0.989263D+01  0.855471D+00 -0.210376D+01 -0.174004D+02
                56            57            58            59            60 
      1   0.492391D+00 -0.314904D+00  0.114886D+00 -0.696517D+01 -0.271321D+01
      2  -0.185978D+01  0.656442D+00 -0.370796D+01  0.613729D+01  0.388032D+01
      3   0.689060D+01  0.198996D+01  0.303757D+02  0.147245D+02 -0.119553D+01
                61            62            63            64            65 
      1   0.855680D+00  0.224453D+01  0.667274D+01  0.233154D+01 -0.389475D+00
      2  -0.213772D+02  0.304628D+01 -0.223040D+02 -0.110348D+02  0.245648D+01
      3   0.108338D+02 -0.687296D+01 -0.516008D+01  0.283943D+02 -0.133677D+02
                66            67            68            69            70 
      1   0.885164D+00  0.132253D+01 -0.678014D+00 -0.257455D+01 -0.124645D+01
      2   0.117032D+02  0.471854D+01 -0.532715D+01 -0.667579D+01  0.128236D+02
      3  -0.232281D+01 -0.152534D+02 -0.212443D+02  0.295871D+01 -0.102158D+02
                71            72            73            74            75 
      1   0.384664D+01  0.152667D+01 -0.905284D+00 -0.303860D+00  0.124427D+01
      2  -0.979429D+01  0.369236D+02  0.148986D+02 -0.407002D+01 -0.143544D+02
      3   0.672819D+01  0.979905D+01 -0.199496D+02  0.113698D+02  0.547838D+01
                76            77            78            79            80 
      1  -0.122348D+01 -0.194862D+01 -0.184043D+01  0.223632D+01  0.132835D+01
      2  -0.576353D+01  0.139331D+02  0.857629D+01 -0.314758D+02  0.706459D+01
      3   0.307763D+02  0.352135D+02 -0.131831D+02  0.725458D+01 -0.143660D+02
                81            82            83            84            85 
      1   0.217408D+01  0.521177D+01 -0.197091D+01 -0.442200D+01 -0.240860D+01
      2  -0.296573D+02  0.106092D+02 -0.456906D+01 -0.576798D+01 -0.508798D+01
      3  -0.102800D+02 -0.302543D+02 -0.454093D+01 -0.168697D+01  0.121855D+01
                86            87            88            89            90 
      1   0.553699D+01  0.363075D+01 -0.684857D+01  0.100398D+02 -0.954755D+01
      2   0.572458D+01  0.871223D+01 -0.137885D+02  0.129045D+02 -0.193377D+02
      3   0.148812D+02 -0.380034D+01 -0.167011D+01 -0.714511D+01 -0.950296D+01
                91            92            93            94            95 
      1  -0.153276D+01 -0.238242D+01  0.759189D+00 -0.443212D+01 -0.244105D+01
      2   0.124114D+02 -0.297277D+01 -0.706250D-01 -0.105223D+02 -0.468712D+01
      3  -0.803516D+01  0.373251D+01  0.318759D+01  0.267492D+02  0.114979D+02
                96            97            98            99           100 
      1  -0.703028D+01  0.374772D+01  0.190167D+01  0.437215D+01  0.230189D+01
      2   0.927283D+01 -0.261561D+02  0.115105D+02 -0.395010D+01 -0.207523D+02
      3   0.859769D+01  0.106389D+02  0.404125D+01 -0.115917D+02  0.183641D+02
               101           102           103           104           105 
      1   0.758074D+01 -0.116968D+01  0.249622D+01  0.607356D+01  0.216894D+01
      2   0.774241D+01  0.536962D+01  0.130569D+02 -0.280730D+00 -0.124718D+02
      3  -0.584224D+01 -0.580553D+01 -0.109434D+01 -0.401757D+01 -0.254539D+01
               106           107           108           109           110 
      1  -0.334943D+01 -0.920950D-01 -0.319997D+01 -0.212493D+01 -0.479979D+01
      2  -0.933455D+01 -0.101907D+02  0.186952D+02 -0.462429D+01 -0.359246D+01
      3  -0.195359D+01 -0.119518D+02  0.867230D+01 -0.103686D+02 -0.834430D+01
               111           112           113           114           115 
      1  -0.731640D+00 -0.100669D+01 -0.571027D+01 -0.295521D+01 -0.187299D+00
      2   0.819673D+01 -0.876220D+01 -0.825498D+01  0.119318D+02  0.133257D+02
      3   0.380386D+01 -0.167346D+01 -0.161745D+02  0.702316D+01 -0.405690D+01
               116           117           118           119           120 
      1   0.846313D+01  0.553350D+00  0.324309D+01 -0.140526D+01 -0.675070D+00
      2   0.105021D+02 -0.315470D+02  0.113244D+02 -0.805426D+01 -0.392076D+01
      3   0.151864D+02 -0.860121D+01 -0.199299D+01  0.393397D+01  0.471360D+01
               121           122           123           124           125 
      1   0.160272D+01  0.121045D+01 -0.628562D+01 -0.332588D+01  0.304137D+01
      2  -0.289600D+01  0.688738D+01  0.248780D+01 -0.732429D+01  0.361092D+01
      3   0.401657D+01  0.174713D+02 -0.614095D+01  0.955956D+01 -0.112012D+02
               126           127           128           129           130 
      1   0.612649D+01  0.241534D+00 -0.180524D+01 -0.885427D+00  0.958443D+00
      2   0.120898D+02  0.553715D+01  0.127060D+01  0.761763D-01  0.153547D+01
      3  -0.702080D+00  0.451282D+01 -0.425700D+00 -0.951296D+00  0.417879D+01
               131           132           133           134           135 
      1  -0.215744D+00 -0.332803D+01 -0.564183D+00  0.188362D+01  0.170724D+01
      2   0.532601D+00  0.439284D+00 -0.300654D+01 -0.663812D-01 -0.153844D+01
      3  -0.117688D+01 -0.508999D+00 -0.160256D+01  0.160671D+01  0.626372D-01
               136           137           138           139           140 
      1   0.150771D+01  0.976315D+00  0.219625D+01 -0.423601D+00 -0.751626D+00
      2  -0.348715D+01  0.279533D+00 -0.782639D+00  0.359839D+00  0.818897D-01
      3  -0.315757D+01 -0.385174D+00 -0.179971D+01  0.147261D+01  0.719495D+00
               141           142           143           144           145 
      1  -0.289597D+01  0.563030D+00  0.308761D+01  0.227979D+01 -0.131740D+01
      2  -0.118818D+01 -0.440259D+01  0.124611D+00  0.101060D+01  0.646761D+01
      3   0.574309D+00 -0.255353D+01 -0.750597D+00 -0.166362D+01  0.331401D+01
               146           147           148           149           150 
      1  -0.258437D+01 -0.304289D+00 -0.878947D+00 -0.131012D+01 -0.194209D+01
      2   0.152662D+01 -0.364859D+00  0.350921D+01  0.668678D+00  0.399928D+00
      3  -0.727241D+00 -0.484853D+00  0.275989D+01 -0.997554D+00 -0.474151D-02
               151           152           153           154           155 
      1   0.231321D+00  0.267593D+01  0.212375D+00 -0.355286D+00  0.130604D+01
      2  -0.240704D+01 -0.346142D+00 -0.109944D+01 -0.391357D+01  0.573028D+00
      3  -0.704013D+00  0.223847D+01 -0.240717D+00 -0.129657D+01 -0.508143D+00
               156           157           158           159           160 
      1   0.566006D+00  0.964351D-01 -0.126403D+01 -0.911977D+00 -0.147649D+01
      2  -0.581655D+00  0.328686D+00  0.250874D+00 -0.133955D+01 -0.491209D+01
      3  -0.335084D+00  0.104607D+01  0.653862D+00 -0.223653D+00 -0.612310D+00
               161           162           163           164           165 
      1   0.445288D+01 -0.135902D+01  0.107738D+01  0.108371D+01 -0.885096D+00
      2   0.143013D+00  0.183227D+01 -0.363510D+01 -0.455796D+00  0.205617D+01
      3  -0.143127D+01  0.480725D-01 -0.159028D+01 -0.551026D+01 -0.922561D+00
               166           167           168           169           170 
      1   0.162799D+01  0.575353D+01 -0.310813D+01 -0.939946D+00 -0.104768D+01
      2  -0.149086D+01 -0.227496D+01  0.261527D+01  0.150743D+01  0.261617D+01
      3  -0.334850D+01 -0.236856D+02 -0.153140D+01 -0.269763D+01  0.357528D+01
               171           172           173           174           175 
      1   0.160981D+00 -0.153503D+01  0.590852D+00 -0.957583D+00 -0.163205D+00
      2   0.123581D+01  0.419101D+01  0.753383D+00  0.495036D+01  0.964089D+00
      3  -0.158027D+01  0.283115D+01 -0.273136D+01  0.713553D+00 -0.211001D+01
               176           177           178           179           180 
      1  -0.568811D+00  0.140246D+00 -0.185937D+01  0.305931D+01 -0.740287D+01
      2   0.148196D+01 -0.315511D+01  0.918885D+00  0.219563D+01  0.213239D+02
      3  -0.607933D+00 -0.224699D+01  0.211078D+01 -0.343672D+01  0.734788D+00
               181           182           183           184           185 
      1  -0.185559D+01  0.873684D+00 -0.166577D+00  0.372030D+00 -0.167384D+00
      2  -0.752912D+01  0.706769D+00 -0.345452D+01  0.247638D+01 -0.403751D+01
      3  -0.513991D+01  0.139893D+01 -0.247010D+00  0.404779D+01  0.323371D+00
               186           187           188           189           190 
      1  -0.629389D+00 -0.782513D+00  0.347314D+01 -0.119668D+01  0.120284D+00
      2   0.427980D+01 -0.770694D+01  0.423124D+01 -0.316464D+02 -0.275824D+01
      3   0.368899D+01 -0.639589D+00  0.496607D+01 -0.391411D+01 -0.662901D+01
               191           192           193           194           195 
      1   0.626480D-01 -0.660443D+00  0.296514D+00  0.370404D+00 -0.348848D+01
      2  -0.809413D+00  0.312381D+01 -0.170780D+01 -0.717486D+01  0.722455D+01
      3  -0.780218D+01  0.575932D+00 -0.139116D+02 -0.453503D+02  0.652716D+01
               196           197           198           199           200 
      1  -0.583565D+00  0.395669D+00  0.452192D+00 -0.701414D+00  0.477965D+00
      2   0.483210D+01  0.542303D+01 -0.130274D+01  0.734255D+01  0.159291D+00
      3   0.181364D+01  0.887712D+01 -0.454388D+01  0.269075D+01 -0.332438D+01
               201           202           203           204           205 
      1  -0.913216D+00  0.133860D+00 -0.463811D+00 -0.470834D+00 -0.116793D+01
      2   0.965154D+01 -0.101182D+01  0.323731D+01 -0.448111D+01  0.153515D+02
      3   0.547678D+00 -0.419291D+01 -0.968765D+00 -0.327150D+01  0.405531D+00
               206           207           208           209           210 
      1   0.316128D+01 -0.283839D+01  0.894800D+00 -0.100597D+01  0.290816D-01
      2  -0.144760D+01  0.386757D+02 -0.134987D+02  0.446708D+01  0.126247D+02
      3  -0.700175D+01  0.339730D+01  0.145878D+02 -0.119692D+02 -0.577063D+01
               211           212           213           214           215 
      1  -0.334424D+00  0.104529D+01 -0.654491D+00 -0.518771D+00  0.188571D+01
      2   0.701317D+01 -0.677753D+01 -0.894338D+01  0.149538D+02 -0.597080D+01
      3  -0.141365D+02  0.993331D+01  0.737280D+01 -0.778171D+01  0.100303D+02
               216           217           218           219           220 
      1   0.928982D-01 -0.383680D+01  0.186442D+01  0.463718D+01  0.300002D+01
      2  -0.105836D+02 -0.673901D+01  0.485062D+01  0.742224D+01  0.422358D+01
      3   0.714248D+01  0.542063D+01 -0.101521D+02 -0.158036D+01 -0.379011D+01
               221           222           223           224           225 
      1  -0.309020D+01 -0.458520D+01  0.436233D+01 -0.250980D+01 -0.393656D+01
      2  -0.678442D+01 -0.658720D+01  0.635465D+01 -0.832726D+01 -0.716626D+01
      3   0.118617D+02  0.447126D+01 -0.153872D+01  0.938863D+01  0.527494D+01
               226           227           228           229           230 
      1   0.161565D+01 -0.799070D-01  0.231071D+01 -0.515433D+00  0.158508D+01
      2   0.301315D+01 -0.101669D+01  0.459336D+01 -0.301284D+00  0.342874D+01
      3   0.381493D+01 -0.244791D+01  0.665692D-01  0.322296D+00  0.345549D+01
               231           232           233           234           235 
      1  -0.386204D+01  0.286061D+01 -0.129250D+01  0.134951D+02 -0.110863D+01
      2  -0.395772D+01  0.184827D+01 -0.880365D+01  0.237328D+02 -0.424907D+01
      3  -0.327881D+01 -0.108994D+01 -0.950733D+01  0.778282D+01  0.275347D+02
               236           237           238           239           240 
      1  -0.351391D+00 -0.243548D+01  0.961886D-01 -0.855152D+00 -0.193258D+01
      2  -0.926580D+00 -0.111925D+01 -0.472461D+00 -0.163844D+01 -0.117475D+01
      3   0.101902D+02  0.370452D+01  0.103055D+02  0.640863D+01  0.225485D+01
               241           242           243           244           245 
      1  -0.204007D+01 -0.110200D+00 -0.508494D-01 -0.184656D+01  0.865943D+00
      2  -0.413432D+01 -0.268411D+01 -0.248595D+00  0.457541D+01  0.406910D+00
      3   0.335826D+01  0.344199D+01  0.427516D+01  0.398805D+01 -0.243787D+01
               246           247           248           249           250 
      1  -0.783648D+00  0.549501D+00 -0.278487D+01  0.708663D+00 -0.120757D+01
      2   0.346183D+01  0.141601D+01  0.418601D+01 -0.587418D+01  0.191207D+01
      3   0.117795D+01 -0.303895D+00  0.437436D+01 -0.486421D+01  0.179072D-01
               251           252           253           254           255 
      1   0.463702D+01 -0.261884D+01  0.365430D+01  0.143188D+01 -0.497296D+01
      2  -0.523044D+01  0.144432D+02 -0.616997D+01  0.502216D+01  0.128847D+02
      3  -0.615256D+01  0.592581D+01 -0.309189D+01 -0.151391D+02 -0.101362D+02
               256           257           258           259           260 
      1   0.337313D+01 -0.146711D+00  0.747597D+01 -0.260138D+01  0.129371D+02
      2   0.306361D+01  0.485583D+01 -0.896067D+01  0.935747D+01 -0.119725D+02
      3  -0.161331D+02 -0.107340D+02 -0.781317D+01 -0.893727D+01 -0.480561D+01
               261           262           263           264           265 
      1  -0.389966D+01 -0.249929D+01  0.822009D+00  0.304250D+01  0.230960D+01
      2  -0.122994D+01 -0.659166D+01  0.567575D+01  0.705463D+01  0.414473D+01
      3   0.148440D+02  0.650562D+01 -0.885513D+01 -0.295480D+01 -0.514808D+01
               266           267           268           269           270 
      1  -0.198687D+01 -0.263394D+01  0.346599D+01 -0.136342D+01 -0.472792D+01
      2  -0.562897D+01 -0.582033D+01  0.108468D+02 -0.106879D+02 -0.140354D+02
      3   0.106509D+02  0.365512D+01 -0.801763D+01  0.125542D+02  0.775889D+01
               271           272           273           274           275 
      1  -0.251985D+01 -0.107914D+01  0.398225D+01 -0.464068D+00 -0.528730D+00
      2   0.872538D+01 -0.536176D+01 -0.811938D+01 -0.238551D+01  0.503494D+01
      3  -0.888822D+01  0.762557D+01  0.789327D+01  0.547450D+01 -0.654655D+01
               276           277           278           279           280 
      1  -0.310135D+01  0.262607D+01 -0.585178D+00 -0.587447D+01  0.244550D+01
      2   0.507525D+01 -0.813299D+01  0.848345D+01  0.135881D+02 -0.203170D+01
      3  -0.524419D+01  0.659857D+01 -0.788262D+01 -0.114871D+02 -0.331484D+01
               281           282           283           284           285 
      1  -0.658230D+00  0.202722D+01 -0.510663D-01  0.675015D+01 -0.738113D+01
      2  -0.291715D+00 -0.142504D+01 -0.821968D+00 -0.520818D+01  0.556721D+01
      3   0.276967D+01 -0.141189D+01  0.278966D+01 -0.946372D+01  0.542185D+01
               286           287           288           289           290 
      1   0.157481D+01 -0.527423D+01  0.112998D+02 -0.137480D+01  0.195562D+01
      2  -0.293437D+01  0.572601D+01 -0.933487D+01 -0.205937D+01  0.237044D+00
      3  -0.314060D+01  0.103009D+02 -0.709402D+01  0.725778D+01 -0.603701D+01
               291           292           293           294           295 
      1  -0.318032D+01  0.747129D+00  0.664077D+00 -0.200824D+01 -0.256673D+01
      2   0.520039D+01 -0.658845D-01 -0.451325D+00  0.222983D+01  0.216984D+01
      3   0.125134D+01 -0.874038D+00 -0.170204D+01 -0.126473D+00  0.209859D+01
               296           297 
      1  -0.622826D+00 -0.133151D+01
      2   0.275816D+01  0.330228D+01
      3  -0.157852D+01 -0.105075D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.551213D+01 -0.112558D+02  0.203393D+02  0.160343D+02 -0.150060D+02
      2  -0.419726D+01  0.450080D+01 -0.175115D+01 -0.188343D+01  0.227210D+02
      3   0.970938D+01  0.675498D+01 -0.185882D+02 -0.141509D+02 -0.771504D+01
      4  -0.955780D+01 -0.538342D+01  0.911413D+01  0.141211D+01  0.394556D+00
      5   0.730455D+01  0.705073D+01  0.346880D+01  0.931692D+01  0.319156D+01
      6   0.677661D+01 -0.281964D+01  0.316672D+01  0.703356D+01  0.590758D-01
                 6             7             8             9            10 
      1   0.361417D+01 -0.375916D+02 -0.134580D+02  0.642619D+01  0.607244D+02
      2  -0.524915D+01  0.134121D+02  0.745580D+01 -0.899256D+01 -0.235947D+02
      3   0.163498D+01  0.241795D+02  0.600223D+01  0.256637D+01 -0.371297D+02
      4   0.403863D+01 -0.340791D+01  0.142780D+01 -0.550470D+01  0.264820D+01
      5  -0.666942D+01  0.580140D+01 -0.676028D+01  0.248094D+01  0.452384D+01
      6   0.537775D+00 -0.112620D+02 -0.691025D+01  0.724742D+01  0.149189D+01
                11            12            13            14            15 
      1   0.933297D+00  0.513651D+01 -0.456564D+01 -0.549422D+01  0.755729D+01
      2   0.216274D+01 -0.546365D+01  0.443510D+01  0.653349D+01 -0.386573D+01
      3  -0.309604D+01  0.327135D+00  0.130546D+00 -0.103927D+01 -0.369156D+01
      4   0.253208D+01 -0.516811D+01  0.896374D+01  0.342164D+01  0.521206D+00
      5  -0.507690D+01  0.395555D+01  0.124489D+02 -0.115913D+00  0.132105D+01
      6  -0.155322D+01  0.301760D+01  0.459950D+01  0.347595D+01  0.111542D+02
                16            17            18            19            20 
      1   0.618309D+01  0.100415D+02 -0.128067D+02  0.121724D+02  0.183553D+02
      2   0.293190D+01  0.533715D+01  0.247433D+01  0.300522D+01 -0.150181D+02
      3  -0.911499D+01 -0.153786D+02  0.103324D+02 -0.151777D+02 -0.333723D+01
      4   0.189486D+02  0.561301D+00 -0.614701D+00  0.199853D+01  0.278983D+01
      5  -0.706232D+01 -0.110042D+00  0.445308D+01 -0.128194D+02  0.184799D+01
      6   0.494023D+01  0.532784D+01 -0.440752D+01 -0.345707D+01  0.467826D+01
                21            22            23            24            25 
      1  -0.167820D+02 -0.156563D+02 -0.337400D+01 -0.148219D+02  0.169769D+02
      2   0.117701D+02  0.460053D+01  0.113584D+02 -0.633054D+01 -0.450933D+01
      3   0.501187D+01  0.110558D+02 -0.798445D+01  0.211525D+02 -0.124676D+02
      4   0.147339D+00  0.128163D+02 -0.651604D+01 -0.102628D+01  0.334343D+01
      5  -0.117330D+02 -0.151155D+00 -0.809799D+00 -0.615152D+00  0.823538D+01
      6  -0.647498D+01 -0.488346D+01 -0.306489D+01  0.440646D+00  0.141474D+02
                26            27            28            29            30 
      1  -0.664695D+01  0.843373D+00  0.146209D+02  0.443181D+01 -0.151480D+00
      2  -0.195726D+01 -0.239910D+01 -0.364027D+01 -0.226045D+01 -0.290159D+01
      3   0.860420D+01  0.155573D+01 -0.109806D+02 -0.217136D+01  0.305307D+01
      4  -0.144196D+01  0.931227D+01  0.483678D+01  0.564472D+01 -0.154878D+01
      5   0.887006D+01 -0.630011D+01  0.737641D+01 -0.921742D+00  0.707849D+01
      6   0.242762D+01  0.132492D+02  0.944338D+01  0.413064D+01 -0.543425D+00
                31            32            33            34            35 
      1  -0.761003D+01 -0.661558D+01  0.893307D+01  0.216105D+01  0.117761D+02
      2  -0.207845D+01  0.218099D+01 -0.416410D+01  0.443318D+01  0.416433D+01
      3   0.968848D+01  0.443459D+01 -0.476897D+01 -0.659423D+01 -0.159405D+02
      4   0.101267D+02  0.366088D+01  0.326951D+01  0.212038D+02  0.214596D+01
      5   0.177984D+02  0.440696D+01  0.122408D+01 -0.409647D+01 -0.347962D+01
      6   0.481299D+01  0.570153D+01  0.102893D+02  0.246246D+01  0.569403D+01
                36            37            38            39            40 
      1  -0.145299D+02  0.366308D+01 -0.842823D+01  0.219709D+02  0.122075D+02
      2   0.264277D+01 -0.894137D+01  0.211157D+01 -0.447838D+01  0.522060D+00
      3   0.118871D+02  0.527829D+01  0.631666D+01 -0.174925D+02 -0.127296D+02
      4  -0.370245D+01 -0.121532D+02 -0.538719D+01  0.610838D+01  0.495496D+01
      5  -0.110888D+01  0.860534D+01  0.382372D+01  0.356599D+01  0.438036D+01
      6  -0.596548D+01  0.379615D+01 -0.384011D+01 -0.241427D+01  0.385154D+01
                41            42            43            44            45 
      1  -0.662147D+01 -0.431854D+00 -0.249183D+02 -0.112229D+02  0.892943D+01
      2   0.129256D+02 -0.187408D+01  0.488684D+01  0.216889D+01 -0.768533D+01
      3  -0.630417D+01  0.230593D+01  0.200315D+02  0.905397D+01 -0.124410D+01
      4   0.813977D+00  0.918270D+00 -0.772641D+01 -0.466762D+01 -0.622773D+01
      5   0.257287D+01 -0.821319D+01  0.776980D+01 -0.572553D+01  0.650902D+00
      6   0.216629D+01  0.228984D+01 -0.140755D+02 -0.490532D+01  0.710240D+01
                46            47            48            49            50 
      1  -0.580362D+01  0.109260D+02 -0.148075D+02 -0.249279D+02  0.224810D+01
      2   0.106026D+02 -0.640087D+01  0.943660D+01  0.926866D+01  0.423252D+01
      3  -0.479897D+01 -0.452514D+01  0.537092D+01  0.156593D+02 -0.648062D+01
      4   0.676794D+01  0.716595D+01 -0.638322D+00  0.132408D+02 -0.441254D+01
      5  -0.131675D+02  0.146990D+01 -0.876833D+01 -0.742377D+01 -0.303746D+00
      6   0.115306D+01  0.327586D+01 -0.471497D+01 -0.274046D+01  0.182968D+01
                51            52            53            54            55 
      1  -0.212132D+02  0.271898D+02 -0.595087D+01 -0.424780D+00 -0.629661D+02
      2   0.760646D-01 -0.713001D+01 -0.158441D+01  0.716136D+00  0.228299D+02
      3   0.211371D+02 -0.200598D+02  0.753528D+01 -0.291356D+00  0.401362D+02
      4   0.417012D+00  0.321646D+01 -0.502570D+00  0.517392D+01  0.823197D+01
      5   0.473071D+00  0.529892D+01  0.492186D+01 -0.636150D+01  0.432954D+01
      6   0.416280D+01  0.861518D+01  0.349643D+01  0.158659D+02  0.249697D+00
                56            57            58            59            60 
      1   0.111420D+02  0.400180D+01  0.491575D+02 -0.114031D+02 -0.606982D+01
      2  -0.771537D+01  0.110337D-01 -0.362439D+02 -0.124991D+02  0.123706D+01
      3  -0.342667D+01 -0.401283D+01 -0.129136D+02  0.239022D+02  0.483276D+01
      4  -0.192317D+02 -0.298648D+01 -0.372308D+02 -0.451871D+02  0.153988D+01
      5  -0.290252D+01 -0.841730D+01 -0.676246D+01  0.302477D+01  0.681958D+01
      6  -0.189303D+01 -0.958186D+00 -0.395916D+01 -0.170952D+01  0.168324D+01
                61            62            63            64            65 
      1   0.464760D+02 -0.900549D+01 -0.154576D+01 -0.261246D+02 -0.385697D+02
      2  -0.137118D+02  0.583863D+01  0.139354D+02  0.196943D+02  0.158355D+02
      3  -0.327642D+02  0.316686D+01 -0.123896D+02  0.643030D+01  0.227342D+02
      4  -0.879878D+01  0.133229D+02  0.239954D+01 -0.430337D+02  0.175196D+02
      5  -0.209924D+02  0.258082D+01 -0.420834D+02 -0.145981D+02  0.421891D+01
      6  -0.196209D+01  0.107756D+00 -0.617683D+01  0.249488D+01  0.196130D+01
                66            67            68            69            70 
      1  -0.115273D+02 -0.851459D+02  0.317881D+02 -0.111199D+00 -0.514621D+02
      2   0.793052D+01  0.439943D+02 -0.186487D+02  0.398301D+00  0.211347D+02
      3   0.359680D+01  0.411515D+02 -0.131394D+02 -0.287102D+00  0.303274D+02
      4   0.402077D+01  0.299849D+02  0.437517D+02 -0.591893D+01  0.606083D+01
      5   0.172579D+02  0.636892D+01 -0.718908D+01 -0.142086D+02  0.371376D+02
      6  -0.542718D+00 -0.158432D+01  0.326025D+01 -0.939958D+00 -0.187301D+01
                71            72            73            74            75 
      1   0.207531D+01  0.297375D+02  0.335926D+02  0.455158D+02  0.272791D+02
      2  -0.145866D+01 -0.841559D+01 -0.153901D+02 -0.258777D+02 -0.126061D+02
      3  -0.616648D+00 -0.213219D+02 -0.182026D+02 -0.196381D+02 -0.146730D+02
      4  -0.127585D+02 -0.158049D+02  0.466740D+02 -0.199329D+02 -0.805864D+01
      5  -0.150584D+02  0.652513D+02  0.307354D+02 -0.894956D+01 -0.313313D+02
      6   0.622432D+01  0.228937D+00 -0.141013D+00  0.138062D+01 -0.172084D+00
                76            77            78            79            80 
      1   0.666560D+02 -0.325785D+02 -0.128010D+02  0.476143D+02 -0.108384D+02
      2  -0.394532D+02  0.742918D+01  0.804185D+01 -0.200704D+02  0.753004D+01
      3  -0.272028D+02  0.251493D+02  0.475914D+01 -0.275439D+02  0.330836D+01
      4  -0.412613D+02 -0.656328D+02  0.246344D+02 -0.100143D+02  0.254161D+02
      5  -0.127269D+02  0.272821D+02  0.187577D+02 -0.553952D+02  0.151221D+02
      6   0.413643D+01  0.394425D+01 -0.767916D+00  0.435152D+00 -0.164701D+01
                81            82            83            84            85 
      1  -0.438957D+02  0.409726D+02  0.319158D+02  0.209927D+02  0.343611D+02
      2   0.292703D+02 -0.318298D+02 -0.100808D+02 -0.827564D+01 -0.123954D+02
      3   0.146254D+02 -0.914278D+01 -0.218349D+02 -0.127170D+02 -0.219657D+02
      4   0.153727D+02  0.300548D+02 -0.271707D+02 -0.147248D+02 -0.327354D+02
      5  -0.571174D+02  0.212121D+02 -0.107806D+02 -0.158327D+02 -0.100860D+02
      6  -0.293753D+01 -0.138394D+02  0.352450D+01  0.892915D+01  0.559362D+01
                86            87            88            89            90 
      1  -0.297543D+02 -0.344371D+01  0.299743D+02 -0.747404D+01 -0.103004D+02
      2   0.228435D+02 -0.421844D+01 -0.867723D+01 -0.293264D+01  0.390994D+01
      3   0.691084D+01  0.766215D+01 -0.212971D+02  0.104067D+02  0.639049D+01
      4  -0.149266D+02  0.132056D+02 -0.158393D+02  0.231653D+02  0.324401D+02
      5   0.127897D+02  0.186259D+02 -0.260361D+02  0.279420D+02 -0.388371D+02
      6  -0.105408D+02 -0.907889D+01  0.124936D+02 -0.140762D+02  0.179228D+02
                91            92            93            94            95 
      1   0.823560D+00  0.189192D+02  0.107387D+02  0.205489D+02 -0.203235D+01
      2  -0.160774D+01 -0.139341D+02 -0.251533D+01 -0.219289D+02 -0.561222D+01
      3   0.784176D+00 -0.498508D+01 -0.822337D+01  0.138004D+01  0.764456D+01
      4   0.154358D+02 -0.119454D+02 -0.434840D+01 -0.374086D+02 -0.241175D+02
      5   0.851959D+01 -0.433813D+01 -0.835643D+01 -0.208521D+02 -0.171808D+02
      6  -0.104725D+01 -0.483419D+01 -0.189322D+01 -0.123432D+02 -0.113989D+02
                96            97            98            99           100 
      1  -0.769063D+01  0.268047D+02 -0.104233D+02 -0.106260D+02 -0.630874D+01
      2  -0.642061D+01 -0.104953D+02 -0.523033D+01  0.136844D+02  0.375788D+01
      3   0.141112D+02 -0.163093D+02  0.156537D+02 -0.305840D+01  0.255086D+01
      4  -0.163986D+02 -0.195010D+02 -0.436406D+01  0.218780D+02 -0.125755D+02
      5   0.147855D+02 -0.228992D+02  0.220746D+02 -0.152383D+02  0.121185D+02
      6  -0.969364D+01  0.256476D+01 -0.183763D+01  0.597729D+01  0.346975D+01
               101           102           103           104           105 
      1  -0.131990D+02  0.169361D+01 -0.259078D+02  0.313089D+01  0.243953D+02
      2   0.123199D+02 -0.637580D+01  0.248989D+02 -0.107385D+02 -0.210364D+02
      3   0.879051D+00  0.468219D+01  0.100897D+01  0.760760D+01 -0.335892D+01
      4  -0.377007D+01  0.138165D+02 -0.264157D+01  0.750463D+01 -0.512470D+01
      5   0.143271D+02 -0.817147D+00  0.412190D+02 -0.490025D+01 -0.313611D+02
      6   0.331599D+01 -0.187603D+01 -0.347256D+01  0.596659D+01  0.473461D+00
               106           107           108           109           110 
      1   0.282156D+02  0.182775D+02 -0.124154D+01  0.504789D+02  0.170516D+02
      2  -0.188629D+02 -0.104292D+02  0.945265D+01 -0.316543D+02 -0.101740D+02
      3  -0.935270D+01 -0.784836D+01 -0.821112D+01 -0.188246D+02 -0.687753D+01
      4   0.237157D+02  0.111152D+02 -0.242573D+02  0.210669D+02  0.191237D+02
      5  -0.109825D+02 -0.238870D+02  0.275432D+02 -0.365386D+02 -0.117429D+02
      6  -0.488950D+01 -0.403758D+01  0.428014D+01 -0.490780D+01 -0.419769D+01
               111           112           113           114           115 
      1  -0.245204D+02  0.364926D+02  0.728109D+01 -0.114376D+02 -0.484923D+02
      2   0.178558D+02 -0.210063D+02 -0.290619D+01  0.120342D+02  0.320777D+02
      3   0.666461D+01 -0.154863D+02 -0.437490D+01 -0.596620D+00  0.164146D+02
      4  -0.914515D+01  0.212296D+02  0.338672D+02 -0.154743D+02 -0.115811D+02
      5   0.233074D+02 -0.249823D+02 -0.161609D+02  0.266142D+02  0.457348D+02
      6   0.380788D+01 -0.471440D+01 -0.870414D+01  0.104584D+02  0.145662D+01
               116           117           118           119           120 
      1  -0.529681D+01  0.109647D+02  0.104096D+01 -0.434145D+01  0.166299D+02
      2   0.796856D+01 -0.298505D+02  0.185054D+01  0.105645D+01 -0.681787D+01
      3  -0.267175D+01  0.188858D+02 -0.289150D+01  0.328500D+01 -0.981204D+01
      4  -0.273848D+02  0.213169D+02  0.283239D+01 -0.640785D+01 -0.201727D+02
      5   0.211263D+02 -0.640588D+02  0.226938D+02 -0.165357D+02 -0.980431D+01
      6   0.120948D+02 -0.902086D+01 -0.943288D+01  0.777107D+01  0.499249D+01
               121           122           123           124           125 
      1  -0.990066D+01 -0.153258D+02 -0.158851D+02  0.317376D+02 -0.223983D+02
      2  -0.232833D+01  0.314337D+02  0.764090D+01 -0.109588D+02  0.531028D+01
      3   0.122290D+02 -0.161079D+02  0.824418D+01 -0.207788D+02  0.170880D+02
      4   0.120450D+02 -0.353552D+02  0.182996D+02 -0.381169D+02  0.355272D+02
      5  -0.208679D+02  0.200563D+02  0.743499D+01 -0.135843D+02  0.877561D+01
      6   0.739923D+01 -0.372122D+01  0.300761D+01  0.837322D+01  0.832517D+00
               126           127           128           129           130 
      1  -0.130411D+02  0.162830D+01 -0.374153D+01  0.185460D+01 -0.389887D+00
      2   0.609012D+01  0.730624D+00  0.516029D+01 -0.909851D+00  0.103974D+01
      3   0.695098D+01 -0.235892D+01 -0.141876D+01 -0.944744D+00 -0.649853D+00
      4   0.111424D+02  0.110610D+02  0.974829D+01 -0.715266D+01  0.866143D+01
      5   0.264389D+02 -0.128406D+02 -0.819576D+01  0.104711D+02 -0.108029D+02
      6  -0.104940D+02 -0.881776D+01 -0.773270D+01  0.794180D+01 -0.857572D+01
               131           132           133           134           135 
      1  -0.843498D+01  0.809951D+01  0.530947D+01  0.110644D+02 -0.132706D+02
      2   0.754504D+01 -0.295441D+01 -0.141953D+01 -0.693024D+01  0.234190D+01
      3   0.889942D+00 -0.514509D+01 -0.388995D+01 -0.413415D+01  0.109287D+02
      4   0.106122D+02 -0.756102D+01 -0.785630D+01 -0.785467D+01  0.830663D+01
      5  -0.907846D+01  0.106071D+02  0.109690D+02  0.951909D+01 -0.146074D+02
      6  -0.121733D+02  0.119193D+02  0.945671D+01  0.140881D+02 -0.159820D+02
               136           137           138           139           140 
      1  -0.310188D+01  0.187532D+01 -0.602061D+01  0.395800D+01 -0.770831D+01
      2  -0.349294D+01  0.496718D+00 -0.410279D+01  0.161071D+00  0.189948D+01
      3   0.659482D+01 -0.237204D+01  0.101234D+02 -0.411907D+01  0.580883D+01
      4  -0.491074D+01  0.396275D+01 -0.550422D+01  0.322310D+01 -0.351762D+01
      5   0.920135D+01 -0.384185D+01  0.116783D+02 -0.387363D+01  0.316042D+01
      6  -0.505983D+01  0.336161D+01 -0.529034D+01  0.382052D+01 -0.812958D+01
               141           142           143           144           145 
      1   0.131674D+02 -0.804579D+01  0.126864D+02 -0.283900D+02  0.385476D+01
      2   0.830230D+00 -0.210457D+01 -0.202629D+01 -0.599846D+01 -0.218697D+01
      3  -0.139976D+02  0.101504D+02 -0.106601D+02  0.343884D+02 -0.166779D+01
      4   0.433899D+01 -0.616151D+01  0.667064D+01 -0.990205D+01  0.517004D+01
      5  -0.474906D+01  0.105157D+02 -0.607652D+01  0.161307D+02 -0.959306D+01
      6   0.114262D+02 -0.811751D+01  0.132731D+02 -0.215747D+02 -0.367912D+01
               146           147           148           149           150 
      1  -0.156310D+01  0.111819D+01 -0.235504D+01 -0.549339D+01  0.632213D+01
      2   0.170192D+01  0.942468D+00  0.477688D+00  0.354849D+01 -0.448632D+00
      3  -0.138821D+00 -0.206066D+01  0.187735D+01  0.194490D+01 -0.587350D+01
      4   0.512348D+01 -0.300395D+01  0.484700D+01  0.559176D+01 -0.338160D+01
      5  -0.415957D+01  0.759188D+01 -0.665655D+01 -0.577276D+01  0.785466D+01
      6  -0.315271D+01  0.380737D+01 -0.425812D+01 -0.669804D+01  0.677133D+01
               151           152           153           154           155 
      1   0.359118D+01  0.698299D+01 -0.103655D+02 -0.111240D+01  0.198688D+00
      2   0.851743D+00 -0.283407D+01 -0.118469D+01 -0.427050D+01  0.143347D+01
      3  -0.444293D+01 -0.414892D+01  0.115502D+02  0.538290D+01 -0.163216D+01
      4  -0.408641D+01 -0.421531D+01  0.402215D+01 -0.349499D+01  0.295839D+01
      5   0.954145D+01  0.587741D+01 -0.116530D+02  0.765941D+01 -0.299258D+01
      6   0.557724D+01  0.809847D+01 -0.966391D+01 -0.202684D+01  0.189054D+01
               156           157           158           159           160 
      1  -0.386840D+01  0.319847D+01 -0.573171D+01  0.105068D+02 -0.324369D+01
      2  -0.504412D+01 -0.464652D-01  0.516027D+00  0.222356D+01 -0.533692D+01
      3   0.891252D+01 -0.315201D+01  0.521568D+01 -0.127303D+02  0.858061D+01
      4  -0.341680D+01  0.234507D+01 -0.252671D+01  0.345549D+01 -0.490474D+01
      5   0.103887D+02 -0.291443D+01  0.299936D+01 -0.381904D+01  0.104784D+02
      6  -0.150357D+01  0.258084D+01 -0.492018D+01  0.648425D+01 -0.396463D+01
               161           162           163           164           165 
      1   0.757808D+01 -0.232125D+02  0.163441D+02  0.713359D+01 -0.195078D+01
      2   0.582954D+00 -0.102056D+02 -0.168142D+01  0.190371D+00  0.730132D+00
      3  -0.816103D+01  0.334181D+02 -0.146627D+02 -0.732396D+01  0.122065D+01
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      6   0.804793D+01 -0.116786D+02  0.103687D+01  0.167664D+01  0.777779D+00
               166           167           168           169           170 
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               171           172           173           174           175 
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               176           177           178           179           180 
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               196           197           198           199           200 
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      6   0.248955D+01  0.635475D+01 -0.265799D+01  0.425430D+00 -0.662211D-01
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      6   0.106744D+01  0.165103D+01 -0.109468D+01  0.400656D+01  0.105045D+01
               206           207           208           209           210 
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      6   0.417278D+01  0.329855D+01  0.155672D+01 -0.718940D+00 -0.208544D+00
               211           212           213           214           215 
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      6  -0.275882D+01  0.219857D+01  0.252258D+01 -0.180965D+01  0.292953D+01
               216           217           218           219           220 
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      6   0.227193D+01  0.929487D+01 -0.723297D+01 -0.846276D+01 -0.759821D+01
               221           222           223           224           225 
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      6   0.112081D+02  0.957909D+01 -0.104537D+02  0.123406D+02  0.976397D+01
               226           227           228           229           230 
      1   0.264050D+01 -0.585431D+01  0.639071D+01 -0.290776D+01 -0.148078D+01
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      6  -0.284207D+01  0.135865D+01 -0.436804D+01  0.195855D+01 -0.540737D+01
               231           232           233           234           235 
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               236           237           238           239           240 
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               241           242           243           244           245 
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      6   0.221560D+01  0.510078D+01  0.671826D+00 -0.372143D+01  0.120855D+01
               246           247           248           249           250 
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      6  -0.109425D+01  0.314045D+01 -0.587355D+01  0.787645D+01 -0.210370D+01
               251           252           253           254           255 
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      6   0.694308D+01 -0.653213D+01 -0.217105D+02  0.218982D+01  0.936002D+01
               256           257           258           259           260 
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      6   0.102532D+02  0.140655D+02 -0.640708D+01  0.800263D+01 -0.140415D+02
               261           262           263           264           265 
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      4  -0.108286D+02 -0.347636D+02  0.287250D+02  0.158844D+02  0.237016D+02
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      6  -0.420850D+01  0.899295D+01 -0.646172D+01 -0.594940D+01 -0.536528D+01
               266           267           268           269           270 
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               271           272           273           274           275 
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               276           277           278           279           280 
      1  -0.111861D+02  0.168113D+02 -0.173840D+02 -0.284313D+02  0.199449D+01
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      3   0.451898D+01 -0.106117D+02  0.874563D+01  0.221074D+02 -0.309870D+01
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      6   0.125854D+02 -0.597298D+01  0.181082D+02  0.230085D+02 -0.887692D+00
               281           282           283           284           285 
      1   0.877696D+01 -0.563945D+00  0.629508D+01 -0.115695D+02  0.479322D+01
      2  -0.732073D+01  0.152700D+01 -0.318383D+01  0.217236D+02 -0.123423D+02
      3  -0.145623D+01 -0.963052D+00 -0.311126D+01 -0.101541D+02  0.754904D+01
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      5   0.168756D+01 -0.849522D+00  0.818318D+00 -0.101642D+02  0.106228D+02
      6  -0.338569D-01 -0.276334D+01 -0.346498D+00 -0.694944D+01  0.958100D+01
               286           287           288           289           290 
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      4  -0.663493D+01 -0.190153D+02  0.721965D+01  0.606739D+02  0.332597D+02
      5  -0.115183D+01  0.986541D+01 -0.181577D+02  0.452613D+02  0.161784D+02
      6  -0.203742D+01  0.820730D+01 -0.129947D+02  0.182163D+02  0.106495D+02
               291           292           293           294           295 
      1   0.185330D+02  0.928456D+01  0.821039D+01  0.164069D+01  0.160427D+02
      2  -0.110839D+02  0.120694D+01  0.580753D+00 -0.391507D+00 -0.107242D+02
      3  -0.744905D+01 -0.104915D+02 -0.879115D+01 -0.124918D+01 -0.531844D+01
      4   0.173541D+02  0.222393D+02  0.148211D+02  0.536559D+01  0.152923D+02
      5   0.226290D+02  0.730103D+01  0.639851D+01  0.515624D+01  0.231688D+02
      6   0.976139D+01  0.636087D+01  0.447714D+01  0.527820D+01  0.890845D+01
               296           297 
      1   0.278627D+01  0.702477D+01
      2  -0.187959D+01 -0.519521D+01
      3  -0.906682D+00 -0.182956D+01
      4   0.813838D+01  0.113199D+02
      5   0.104385D+02  0.148307D+02
      6   0.765414D+01  0.732160D+01
 Leave Link  716 at Mon Sep 27 13:10:05 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229539D+03  0.101789D+02  0.345876D+01
      2   0.101789D+02  0.145674D+03 -0.950565D+01
      3   0.345876D+01 -0.950565D+01  0.148281D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.406182D+01  0.419610D+01 -0.435656D+01
      2  -0.384221D+02 -0.171132D+01 -0.480241D+02
      3  -0.823324D+01  0.459074D+02 -0.482650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.280496D+03 -0.299702D+02 -0.609695D+02
      2   0.135621D+03  0.333922D+02  0.374683D+02
      3   0.144876D+03 -0.342197D+01  0.235013D+02
      4   0.111758D+02 -0.890869D+02  0.968869D+01
      5  -0.106925D+02  0.110676D+02 -0.870769D+02
      6   0.153117D+02  0.378187D+02  0.188855D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108175D+02  0.186809D+01  0.168445D+01 -0.337059D+01 -0.236742D+00
      2   0.186809D+01 -0.106176D+01  0.743827D+00 -0.236742D+00 -0.422961D+01
      3   0.168445D+01  0.743827D+00 -0.377461D+01 -0.243016D+01  0.803732D+00
                 6             7             8             9            10 
      1  -0.243016D+01  0.156497D+02  0.394726D+00  0.140735D+01 -0.338040D+02
      2   0.803732D+00  0.394726D+00 -0.134458D+01  0.150981D+01 -0.199979D+01
      3   0.713201D+00  0.140735D+01  0.150981D+01  0.135569D+01 -0.279192D+01
                11            12            13            14            15 
      1  -0.199979D+01 -0.279192D+01 -0.389150D+01 -0.427749D+01 -0.204340D+01
      2  -0.201926D+01  0.700805D+00 -0.427749D+01 -0.220943D+01 -0.641195D+00
      3   0.700805D+00 -0.280289D+01 -0.204340D+01 -0.641195D+00 -0.169310D+01
                16            17            18            19            20 
      1  -0.699476D+01 -0.223831D+01 -0.223846D+01 -0.137838D+02 -0.282576D+01
      2  -0.223831D+01 -0.661647D+00 -0.751376D+00 -0.282576D+01  0.280092D+01
      3  -0.223846D+01 -0.751376D+00 -0.118260D+01 -0.204786D+01 -0.186162D+01
                21            22            23            24            25 
      1  -0.204786D+01 -0.128480D+02 -0.126142D+00 -0.240905D+00  0.839603D+01
      2  -0.186162D+01 -0.126142D+00 -0.253104D+01  0.112245D+01  0.256076D+01
      3   0.980755D+00 -0.240905D+00  0.112245D+01  0.289547D+01 -0.302535D+00
                26            27            28            29            30 
      1   0.256076D+01 -0.302535D+00  0.309851D+02  0.393533D+01  0.327366D+01
      2   0.101793D+01  0.171951D+01  0.393533D+01  0.245263D+01  0.751544D-01
      3   0.171951D+01  0.302791D+01  0.327366D+01  0.751544D-01  0.283019D+01
                31            32            33            34            35 
      1   0.413614D+01  0.435378D+01  0.250469D+01  0.396459D+01  0.282695D+01
      2   0.435378D+01  0.185381D+01  0.143231D+01  0.282695D+01  0.169013D+01
      3   0.250469D+01  0.143231D+01  0.128443D+01  0.273574D+01 -0.542452D+00
                36            37            38            39            40 
      1   0.273574D+01 -0.973559D+01 -0.185659D+01 -0.209388D+01  0.438044D+01
      2  -0.542452D+00 -0.185659D+01  0.542063D+00 -0.138697D+00  0.103809D+01
      3   0.943838D+00 -0.209388D+01 -0.138697D+00  0.348413D+01  0.190189D+01
                41            42            43            44            45 
      1   0.103809D+01  0.190189D+01 -0.157800D+02 -0.168820D+01 -0.134672D+01
      2   0.394719D+01 -0.104146D+01 -0.168820D+01 -0.150431D+00 -0.897434D+00
      3  -0.104146D+01 -0.830630D+00 -0.134672D+01 -0.897434D+00 -0.182727D+01
                46            47            48            49            50 
      1   0.126685D+02  0.243452D+01  0.171836D+01  0.120402D+02 -0.499769D+00
      2   0.243452D+01 -0.174900D+01  0.936790D+00 -0.499769D+00  0.222556D+01
      3   0.171836D+01  0.936790D+00 -0.350945D+00  0.117279D+01 -0.160168D+01
                51            52            53            54            55 
      1   0.117279D+01 -0.829532D+01 -0.174373D+01  0.328728D+00  0.213049D+02
      2  -0.160168D+01 -0.174373D+01 -0.975689D+00 -0.144877D+01 -0.966648D+00
      3  -0.252621D+01  0.328728D+00 -0.144877D+01 -0.282400D+01  0.260889D+00
                56            57            58            59            60 
      1  -0.966648D+00  0.260889D+00 -0.524296D+01  0.541360D+01  0.100174D+01
      2   0.256105D+01  0.511132D+00  0.541360D+01  0.608642D+01 -0.236963D+00
      3   0.511132D+00  0.118374D+01  0.100174D+01 -0.236963D+00 -0.116226D+01
                61            62            63            64            65 
      1  -0.766029D+01  0.123825D+01  0.264063D+01 -0.413090D+01  0.464532D+01
      2   0.123825D+01 -0.195187D+01 -0.390792D+00  0.464532D+01 -0.223721D+01
      3   0.264063D+01 -0.390792D+00  0.597477D+01  0.118596D+01 -0.532213D+00
                66            67            68            69            70 
      1   0.118596D+01  0.136473D+02 -0.356686D+01 -0.440226D+00  0.104331D+02
      2  -0.532213D+00 -0.356686D+01 -0.534749D+01  0.632142D+00 -0.677419D+00
      3  -0.236557D+01 -0.440226D+00  0.632142D+00  0.193820D+01 -0.346612D+01
                71            72            73            74            75 
      1  -0.677419D+00 -0.346612D+01 -0.343396D+01 -0.393932D+01 -0.232755D+01
      2   0.172633D+01  0.194641D+01 -0.393932D+01  0.183653D+01  0.736621D+00
      3   0.194641D+01 -0.782342D+01 -0.232755D+01  0.736621D+00  0.273280D+01
                76            77            78            79            80 
      1  -0.673068D+01  0.386584D+01  0.982190D+00 -0.490406D+01  0.898508D+00
      2   0.386584D+01  0.616406D+01 -0.218383D+01  0.898508D+00 -0.248771D+01
      3   0.982190D+00 -0.218383D+01 -0.174719D+01  0.463496D+01 -0.130013D+01
                81            82            83            84            85 
      1   0.463496D+01 -0.348408D+01 -0.465344D+01 -0.286412D+01 -0.555050D+01
      2  -0.130013D+01 -0.465344D+01  0.216646D+01  0.942634D+00  0.237141D+01
      3   0.512897D+01 -0.286412D+01  0.942634D+00  0.188477D+01  0.887779D+00
                86            87            88            89            90 
      1   0.237141D+01  0.887779D+00 -0.458374D+01  0.104575D+01  0.284858D+01
      2   0.289014D+01 -0.144734D+01  0.104575D+01 -0.253003D+01 -0.338499D+01
      3  -0.144734D+01 -0.225984D+01  0.284858D+01 -0.338499D+01  0.488476D+01
                91            92            93            94            95 
      1  -0.682816D+01  0.815147D+00 -0.935290D-01  0.572548D+00 -0.574384D+01
      2   0.815147D+00 -0.267556D+01 -0.103869D+01 -0.574384D+01 -0.412085D+01
      3  -0.935290D-01 -0.103869D+01 -0.164162D+01 -0.306657D+01 -0.278780D+01
                96            97            98            99           100 
      1  -0.306657D+01  0.544649D+01 -0.241337D+01 -0.331424D+01 -0.268663D+01
      2  -0.278780D+01 -0.241337D+01 -0.745286D+00  0.310644D+01 -0.201214D+01
      3   0.178352D+01 -0.331424D+01  0.310644D+01 -0.173223D+01  0.109069D+01
               101           102           103           104           105 
      1  -0.201214D+01  0.109069D+01 -0.487381D+01  0.903188D+00  0.395918D+01
      2   0.291345D+00  0.151904D+01  0.903188D+00  0.335116D+00 -0.169884D+00
      3   0.151904D+01  0.693999D+00  0.395918D+01 -0.169884D+00 -0.432157D+01
               106           107           108           109           110 
      1   0.336826D+01  0.227677D+01 -0.728118D+00  0.585672D+01  0.240865D+01
      2   0.227677D+01 -0.852317D-01 -0.289506D+01  0.240865D+01  0.127751D+01
      3  -0.728118D+00 -0.289506D+01  0.157589D+01 -0.343068D+01 -0.987276D+00
               111           112           113           114           115 
      1  -0.343068D+01  0.707802D+01  0.191124D+01 -0.241227D+01 -0.101640D+02
      2  -0.987276D+00  0.191124D+01  0.409390D+01 -0.181295D+01 -0.133345D+01
      3   0.144064D+01 -0.241227D+01 -0.181295D+01  0.315754D+01  0.407238D+01
               116           117           118           119           120 
      1  -0.133345D+01  0.407238D+01 -0.692149D+00  0.321961D+00  0.235534D+01
      2  -0.266724D+01  0.237705D+01  0.321961D+00 -0.174390D+01 -0.187428D+01
      3   0.237705D+01 -0.684528D+01  0.235534D+01 -0.187428D+01 -0.177047D+01
               121           122           123           124           125 
      1  -0.355279D+01  0.253457D-01 -0.203188D+01  0.510577D+01 -0.356933D+01
      2   0.253457D-01 -0.401688D+01  0.181024D+01 -0.356933D+01  0.401752D+01
      3  -0.203188D+01  0.181024D+01  0.139922D+01 -0.182028D+01  0.987933D+00
               126           127           128           129           130 
      1  -0.182028D+01 -0.351567D+01 -0.196205D+01  0.185697D+01 -0.216622D+01
      2   0.987933D+00 -0.196205D+01 -0.179119D+01  0.145609D+01 -0.176727D+01
      3   0.314568D+01  0.185697D+01  0.145609D+01 -0.148390D+01  0.191367D+01
               131           132           133           134           135 
      1  -0.176727D+01  0.191367D+01  0.234508D+01  0.163735D+01 -0.206472D+01
      2  -0.227884D+01  0.195581D+01  0.163735D+01  0.253393D+01 -0.248110D+01
      3   0.195581D+01 -0.249446D+01 -0.206472D+01 -0.248110D+01  0.342582D+01
               136           137           138           139           140 
      1   0.191936D+01 -0.615698D+00  0.211335D+01 -0.671594D+00  0.389213D+00
      2  -0.615698D+00  0.382258D+00 -0.688594D+00  0.389213D+00 -0.118923D+01
      3   0.211335D+01 -0.688594D+00  0.235603D+01 -0.932807D+00  0.142164D+01
               141           142           143           144           145 
      1  -0.932807D+00  0.194222D+01 -0.124123D+01  0.267704D+01  0.361161D+01
      2   0.142164D+01 -0.124123D+01  0.187162D+01 -0.284124D+01  0.150705D+01
      3  -0.319928D+01  0.267704D+01 -0.284124D+01  0.672364D+01 -0.151072D+01
               146           147           148           149           150 
      1   0.150705D+01 -0.151072D+01  0.175292D+01  0.122152D+01 -0.150754D+01
      2   0.120454D+01 -0.870777D+00  0.122152D+01  0.143872D+01 -0.135746D+01
      3  -0.870777D+00  0.130392D+01 -0.150754D+01 -0.135746D+01  0.206196D+01
               151           152           153           154           155 
      1  -0.207178D+01 -0.130687D+01  0.190712D+01 -0.174535D+01  0.591735D+00
      2  -0.130687D+01 -0.191426D+01  0.188549D+01  0.591735D+00 -0.230423D+00
      3   0.190712D+01  0.188549D+01 -0.323828D+01 -0.190207D+01  0.504840D+00
               156           157           158           159           160 
      1  -0.190207D+01  0.343338D+00 -0.280205D+00  0.691195D+00 -0.232357D+01
      2   0.504840D+00 -0.280205D+00  0.789219D+00 -0.113647D+01  0.109082D+01
      3  -0.215472D+01  0.691195D+00 -0.113647D+01  0.282892D+01 -0.265417D+01
               161           162           163           164           165 
      1   0.109082D+01 -0.265417D+01 -0.373408D+01 -0.170110D+01  0.151480D+00
      2  -0.145555D+01  0.227646D+01 -0.170110D+01 -0.178266D+01 -0.285789D+00
      3   0.227646D+01 -0.665957D+01  0.151480D+00 -0.285789D+00 -0.212262D+00
               166           167           168           169           170 
      1  -0.482577D+01 -0.350024D+01 -0.537510D+00  0.445377D+01  0.401901D+00
      2  -0.350024D+01 -0.859455D+01 -0.485975D+00  0.401901D+00  0.114488D+01
      3  -0.537510D+00 -0.485975D+00 -0.715300D+00 -0.488925D+00 -0.873448D+00
               171           172           173           174           175 
      1  -0.488925D+00 -0.114218D+01  0.287760D+00 -0.127752D+01  0.262536D+01
      2  -0.873448D+00  0.287760D+00 -0.459772D+00 -0.204395D+00 -0.690139D+00
      3  -0.276251D+00 -0.127752D+01 -0.204395D+00 -0.124048D+01  0.332290D+00
               176           177           178           179           180 
      1  -0.690139D+00  0.332290D+00 -0.309097D+01 -0.207248D+00 -0.218736D+01
      2  -0.386707D+00 -0.753582D+00 -0.207248D+00 -0.956618D+00 -0.797581D+00
      3  -0.753582D+00  0.863329D+00 -0.218736D+01 -0.797581D+00 -0.698761D+01
               181           182           183           184           185 
      1   0.111061D+01 -0.106707D+01  0.104242D+01 -0.217076D+01  0.304296D+00
      2  -0.106707D+01  0.410344D+00  0.491629D-01  0.304296D+00  0.815789D-01
      3   0.104242D+01  0.491629D-01  0.709280D+00 -0.142733D+00  0.866093D+00
               186           187           188           189           190 
      1  -0.142733D+00  0.187910D+01 -0.394970D-01  0.430920D+00 -0.939623D+00
      2   0.866093D+00 -0.394970D-01  0.126975D+01 -0.860643D+00 -0.122995D+01
      3  -0.891978D+00  0.430920D+00 -0.860643D+00  0.737849D+01  0.472102D+00
               191           192           193           194           195 
      1  -0.122995D+01  0.472102D+00 -0.346503D+01 -0.357864D+01  0.364303D+00
      2  -0.129747D+01  0.163948D+00 -0.357864D+01 -0.831959D+01  0.117308D+01
      3   0.163948D+00 -0.460603D+00  0.364303D+00  0.117308D+01 -0.111222D+01
               196           197           198           199           200 
      1   0.119666D+01  0.511441D+00 -0.115290D+01 -0.171437D+01  0.332985D+00
      2   0.511441D+00  0.157875D+01 -0.101134D+01  0.332985D+00 -0.392799D+00
      3  -0.115290D+01 -0.101134D+01  0.260785D+00 -0.125370D+01 -0.187385D-01
               201           202           203           204           205 
      1  -0.125370D+01  0.118956D+01 -0.954916D+00  0.283864D+00 -0.394767D+01
      2  -0.187385D-01 -0.954916D+00 -0.283996D+00 -0.637121D+00 -0.256621D+00
      3  -0.147712D+01  0.283864D+00 -0.637121D+00  0.779696D+00 -0.345668D+01
               206           207           208           209           210 
      1  -0.256621D+00 -0.345668D+01 -0.750255D+01  0.214362D+01  0.249536D+01
      2  -0.109909D+01  0.190334D+00  0.214362D+01 -0.143666D+01 -0.793970D+00
      3   0.190334D+00 -0.671417D+01  0.249536D+01 -0.793970D+00 -0.173579D+01
               211           212           213           214           215 
      1   0.566008D+01 -0.243833D+01 -0.135355D+01  0.545153D+01 -0.108574D+01
      2  -0.243833D+01  0.139952D+01  0.117368D+01 -0.108574D+01  0.145711D+01
      3  -0.135355D+01  0.117368D+01  0.136432D+01 -0.295832D+01  0.102202D+01
               216           217           218           219           220 
      1  -0.295832D+01 -0.442595D+01  0.341323D+01  0.180007D+01  0.262304D+01
      2   0.102202D+01  0.341323D+01 -0.340458D+01 -0.119640D+01 -0.310637D+01
      3   0.178112D+01  0.180007D+01 -0.119640D+01 -0.145140D+01 -0.120989D+01
               221           222           223           224           225 
      1  -0.310637D+01 -0.120989D+01  0.304001D+01 -0.201966D+01 -0.198465D+01
      2   0.410583D+01  0.174358D+01 -0.201966D+01  0.298144D+01  0.212381D+01
      3   0.174358D+01  0.138765D+01 -0.198465D+01  0.212381D+01  0.172071D+01
               226           227           228           229           230 
      1  -0.471314D+00  0.942097D+00 -0.779467D+00  0.711811D+00 -0.582302D+00
      2   0.942097D+00 -0.748214D+00  0.250907D+00 -0.582302D+00  0.117015D+01
      3  -0.779467D+00  0.250907D+00 -0.109311D+01  0.187283D+00 -0.100962D+01
               231           232           233           234           235 
      1   0.187283D+00 -0.167663D+01  0.710524D+00 -0.150042D+01  0.829861D+01
      2  -0.100962D+01  0.710524D+00 -0.243986D+01  0.239595D+01  0.133374D+01
      3   0.113520D+01 -0.150042D+01  0.239595D+01 -0.621582D+01  0.117650D+01
               236           237           238           239           240 
      1   0.133374D+01  0.117650D+01  0.113133D+01  0.132298D+01  0.185935D+00
      2   0.248441D+01  0.321624D+00  0.132298D+01  0.139114D+01  0.437379D+00
      3   0.321624D+00  0.708555D+00  0.185935D+00  0.437379D+00  0.687847D+00
               241           242           243           244           245 
      1   0.117862D+01  0.360757D+00  0.348418D+00 -0.359252D+00 -0.111754D+01
      2   0.360757D+00  0.810121D+00  0.910420D+00 -0.111754D+01  0.560107D+00
      3   0.348418D+00  0.910420D+00  0.157143D+00  0.120936D+01 -0.240942D+00
               246           247           248           249           250 
      1   0.120936D+01 -0.196655D+01  0.969698D+00 -0.459399D+00  0.210097D+01
      2  -0.240942D+00  0.969698D+00 -0.138574D+01  0.150975D+01 -0.211288D+00
      3   0.111133D+01 -0.459399D+00  0.150975D+01 -0.196958D+01  0.202255D+01
               251           252           253           254           255 
      1  -0.211288D+00  0.202255D+01 -0.874626D+01 -0.454936D+01 -0.450287D+01
      2   0.183458D+01 -0.157563D+01 -0.454936D+01  0.100268D+01  0.363447D+00
      3  -0.157563D+01  0.529766D+01 -0.450287D+01  0.363447D+00  0.169588D+01
               256           257           258           259           260 
      1   0.206533D+01  0.397873D+01  0.136168D+01 -0.388702D+01  0.642697D+00
      2   0.397873D+01  0.438750D+01  0.240829D+01  0.642697D+00  0.145323D+01
      3   0.136168D+01  0.240829D+01 -0.173667D+01  0.197526D+01 -0.323424D+01
               261           262           263           264           265 
      1   0.197526D+01  0.432721D+01 -0.314301D+01 -0.203328D+01 -0.193943D+01
      2  -0.323424D+01 -0.314301D+01  0.283599D+01  0.143244D+01  0.231217D+01
      3   0.240267D-01 -0.203328D+01  0.143244D+01  0.176713D+01  0.113841D+01
               266           267           268           269           270 
      1   0.231217D+01  0.113841D+01 -0.411926D+01  0.330166D+01  0.322197D+01
      2  -0.340849D+01 -0.131146D+01  0.330166D+01 -0.367110D+01 -0.273550D+01
      3  -0.131146D+01 -0.133863D+01  0.322197D+01 -0.273550D+01 -0.329798D+01
               271           272           273           274           275 
      1  -0.144567D+01  0.125030D+01  0.174195D+01  0.542757D+00 -0.812505D+00
      2   0.125030D+01 -0.216929D+01 -0.148149D+01 -0.812505D+00  0.172225D+01
      3   0.174195D+01 -0.148149D+01 -0.226187D+01 -0.553799D+00  0.124024D+01
               276           277           278           279           280 
      1  -0.553799D+00  0.205440D+01 -0.531990D+00 -0.114386D+01  0.442370D+00
      2   0.124024D+01 -0.531990D+00  0.234442D+01  0.267564D+01  0.728135D+00
      3   0.149816D+01 -0.114386D+01  0.267564D+01  0.426260D+01 -0.283749D+00
               281           282           283           284           285 
      1   0.728135D+00 -0.283749D+00  0.851262D+00  0.223176D-02 -0.412731D-01
      2  -0.690228D+00  0.803062D-01  0.223176D-02  0.301213D+01 -0.161287D+01
      3   0.803062D-01 -0.441232D+00 -0.412731D-01 -0.161287D+01  0.177843D+01
               286           287           288           289           290 
      1  -0.161111D+01 -0.508178D+00 -0.409176D+00  0.129790D+02  0.467978D+01
      2  -0.508178D+00 -0.342459D+01  0.165604D+01  0.467978D+01  0.308112D+01
      3  -0.409176D+00  0.165604D+01 -0.290510D+01  0.356400D+01  0.142509D+01
               291           292           293           294           295 
      1   0.356400D+01  0.191471D+01  0.177846D+01  0.535032D+00  0.310389D+01
      2   0.142509D+01  0.177846D+01  0.120821D+01  0.497233D+00  0.117327D+01
      3   0.183543D+01  0.535032D+00  0.497233D+00  0.441809D+00  0.196602D+01
               296           297 
      1   0.117327D+01  0.196602D+01
      2   0.829017D+00  0.123840D+01
      3   0.123840D+01  0.146009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.188669D+01 -0.101471D+01 -0.266437D+01 -0.709052D+01 -0.158109D+01
      2   0.292466D+01 -0.214773D+01  0.236090D+01 -0.617007D+01  0.172305D+01
      3  -0.656246D+01 -0.394367D+01  0.118652D+00  0.113926D+02 -0.121161D+01
                 6             7             8             9            10 
      1  -0.388938D+01 -0.520770D+01  0.259313D+01 -0.648234D+00 -0.705644D+00
      2  -0.123833D+01 -0.452191D+01 -0.139704D+01  0.123534D-02  0.528602D+01
      3   0.309336D+01 -0.367839D+01 -0.138576D+01  0.349327D+01  0.138840D+02
                11            12            13            14            15 
      1  -0.173272D+01  0.134505D+01 -0.584527D+01  0.498449D+01 -0.712606D+01
      2   0.118507D+01 -0.373489D+01  0.820434D+01  0.302488D+01 -0.261521D+01
      3   0.156211D+01  0.818211D+00  0.163494D+02  0.136770D+01  0.130787D+01
                16            17            18            19            20 
      1   0.786664D+01  0.392259D+00 -0.562430D+01 -0.164201D+01  0.154323D+01
      2  -0.230339D+02 -0.237571D+01  0.112367D+01  0.630800D+00 -0.238772D+01
      3  -0.461495D+01  0.114090D+01 -0.133329D+01  0.203649D+01 -0.535781D+00
                21            22            23            24            25 
      1  -0.808695D+00  0.424875D+01  0.106341D+01  0.174452D+00  0.306895D+01
      2   0.826146D+01  0.385590D+01 -0.327509D+01  0.328962D+01 -0.914027D+01
      3   0.355134D+01  0.123141D+02  0.347592D+01  0.888152D+00  0.243699D+01
                26            27            28            29            30 
      1   0.360309D+01  0.410722D+01  0.116415D+01 -0.170478D+01  0.479115D+01
      2   0.234800D+00  0.210645D+00 -0.568993D+01  0.107559D+01 -0.340180D+01
      3  -0.268151D+00 -0.242084D+01 -0.134142D+02 -0.219781D+01 -0.316939D+01
                31            32            33            34            35 
      1  -0.166039D+01  0.541526D+01 -0.561449D+01  0.958790D+01  0.237410D+01
      2   0.693294D+01  0.299948D+01 -0.409840D+01 -0.237801D+02 -0.693193D+01
      3   0.154834D+02  0.140083D+01 -0.172030D+01 -0.110209D+02 -0.610718D+00
                36            37            38            39            40 
      1  -0.415891D+01  0.741050D+00 -0.150293D+01  0.417288D+00 -0.504123D+01
      2  -0.413681D+01  0.899141D+01 -0.841295D+00  0.318224D+01 -0.794622D+01
      3  -0.120763D+01  0.378011D+01 -0.170951D+01  0.287898D+01  0.935948D+01
                41            42            43            44            45 
      1  -0.272035D+01 -0.349458D+01 -0.423317D+01  0.142724D+01 -0.257441D+01
      2   0.114453D+01 -0.222183D+01  0.207515D+01 -0.235282D+00  0.322984D+00
      3  -0.781436D+00  0.289336D+01  0.950639D+01  0.141671D+01  0.526649D+01
                46            47            48            49            50 
      1  -0.375850D+00  0.284365D+01 -0.130191D+01  0.646800D+01  0.479077D+00
      2  -0.468049D+01 -0.378445D+01  0.841120D+01 -0.668957D+01 -0.353187D+01
      3  -0.129230D+02 -0.337558D+01  0.186260D+01  0.630379D+01  0.133697D+01
                51            52            53            54            55 
      1  -0.198520D+01  0.275139D+01  0.283022D+01  0.100215D+01 -0.220020D+01
      2   0.482155D+01 -0.547412D+01  0.798539D+00 -0.112466D+01  0.424085D+01
      3  -0.129744D+01  0.989263D+01  0.855471D+00 -0.210376D+01 -0.174004D+02
                56            57            58            59            60 
      1   0.492391D+00 -0.314904D+00  0.114886D+00 -0.696517D+01 -0.271321D+01
      2  -0.185978D+01  0.656442D+00 -0.370796D+01  0.613729D+01  0.388032D+01
      3   0.689060D+01  0.198996D+01  0.303757D+02  0.147245D+02 -0.119553D+01
                61            62            63            64            65 
      1   0.855680D+00  0.224453D+01  0.667274D+01  0.233154D+01 -0.389475D+00
      2  -0.213772D+02  0.304628D+01 -0.223040D+02 -0.110348D+02  0.245648D+01
      3   0.108338D+02 -0.687296D+01 -0.516008D+01  0.283943D+02 -0.133677D+02
                66            67            68            69            70 
      1   0.885164D+00  0.132253D+01 -0.678014D+00 -0.257455D+01 -0.124645D+01
      2   0.117032D+02  0.471854D+01 -0.532715D+01 -0.667579D+01  0.128236D+02
      3  -0.232281D+01 -0.152534D+02 -0.212443D+02  0.295871D+01 -0.102158D+02
                71            72            73            74            75 
      1   0.384664D+01  0.152667D+01 -0.905284D+00 -0.303860D+00  0.124427D+01
      2  -0.979429D+01  0.369236D+02  0.148986D+02 -0.407002D+01 -0.143544D+02
      3   0.672819D+01  0.979905D+01 -0.199496D+02  0.113698D+02  0.547838D+01
                76            77            78            79            80 
      1  -0.122348D+01 -0.194862D+01 -0.184043D+01  0.223632D+01  0.132835D+01
      2  -0.576353D+01  0.139331D+02  0.857629D+01 -0.314758D+02  0.706459D+01
      3   0.307763D+02  0.352135D+02 -0.131831D+02  0.725458D+01 -0.143660D+02
                81            82            83            84            85 
      1   0.217408D+01  0.521177D+01 -0.197091D+01 -0.442200D+01 -0.240860D+01
      2  -0.296573D+02  0.106092D+02 -0.456906D+01 -0.576798D+01 -0.508798D+01
      3  -0.102800D+02 -0.302543D+02 -0.454093D+01 -0.168697D+01  0.121855D+01
                86            87            88            89            90 
      1   0.553699D+01  0.363075D+01 -0.684857D+01  0.100398D+02 -0.954755D+01
      2   0.572458D+01  0.871223D+01 -0.137885D+02  0.129045D+02 -0.193377D+02
      3   0.148812D+02 -0.380034D+01 -0.167011D+01 -0.714511D+01 -0.950296D+01
                91            92            93            94            95 
      1  -0.153276D+01 -0.238242D+01  0.759189D+00 -0.443212D+01 -0.244105D+01
      2   0.124114D+02 -0.297277D+01 -0.706250D-01 -0.105223D+02 -0.468712D+01
      3  -0.803516D+01  0.373251D+01  0.318759D+01  0.267492D+02  0.114979D+02
                96            97            98            99           100 
      1  -0.703028D+01  0.374772D+01  0.190167D+01  0.437215D+01  0.230189D+01
      2   0.927283D+01 -0.261561D+02  0.115105D+02 -0.395010D+01 -0.207523D+02
      3   0.859769D+01  0.106389D+02  0.404125D+01 -0.115917D+02  0.183641D+02
               101           102           103           104           105 
      1   0.758074D+01 -0.116968D+01  0.249622D+01  0.607356D+01  0.216894D+01
      2   0.774241D+01  0.536962D+01  0.130569D+02 -0.280730D+00 -0.124718D+02
      3  -0.584224D+01 -0.580553D+01 -0.109434D+01 -0.401757D+01 -0.254539D+01
               106           107           108           109           110 
      1  -0.334943D+01 -0.920950D-01 -0.319997D+01 -0.212493D+01 -0.479979D+01
      2  -0.933455D+01 -0.101907D+02  0.186952D+02 -0.462429D+01 -0.359246D+01
      3  -0.195359D+01 -0.119518D+02  0.867230D+01 -0.103686D+02 -0.834430D+01
               111           112           113           114           115 
      1  -0.731640D+00 -0.100669D+01 -0.571027D+01 -0.295521D+01 -0.187299D+00
      2   0.819673D+01 -0.876220D+01 -0.825498D+01  0.119318D+02  0.133257D+02
      3   0.380386D+01 -0.167346D+01 -0.161745D+02  0.702316D+01 -0.405690D+01
               116           117           118           119           120 
      1   0.846313D+01  0.553350D+00  0.324309D+01 -0.140526D+01 -0.675070D+00
      2   0.105021D+02 -0.315470D+02  0.113244D+02 -0.805426D+01 -0.392076D+01
      3   0.151864D+02 -0.860121D+01 -0.199299D+01  0.393397D+01  0.471360D+01
               121           122           123           124           125 
      1   0.160272D+01  0.121045D+01 -0.628562D+01 -0.332588D+01  0.304137D+01
      2  -0.289600D+01  0.688738D+01  0.248780D+01 -0.732429D+01  0.361092D+01
      3   0.401657D+01  0.174713D+02 -0.614095D+01  0.955956D+01 -0.112012D+02
               126           127           128           129           130 
      1   0.612649D+01  0.241534D+00 -0.180524D+01 -0.885427D+00  0.958443D+00
      2   0.120898D+02  0.553715D+01  0.127060D+01  0.761763D-01  0.153547D+01
      3  -0.702080D+00  0.451282D+01 -0.425700D+00 -0.951296D+00  0.417879D+01
               131           132           133           134           135 
      1  -0.215744D+00 -0.332803D+01 -0.564183D+00  0.188362D+01  0.170724D+01
      2   0.532601D+00  0.439284D+00 -0.300654D+01 -0.663812D-01 -0.153844D+01
      3  -0.117688D+01 -0.508999D+00 -0.160256D+01  0.160671D+01  0.626372D-01
               136           137           138           139           140 
      1   0.150771D+01  0.976315D+00  0.219625D+01 -0.423601D+00 -0.751626D+00
      2  -0.348715D+01  0.279533D+00 -0.782639D+00  0.359839D+00  0.818897D-01
      3  -0.315757D+01 -0.385174D+00 -0.179971D+01  0.147261D+01  0.719495D+00
               141           142           143           144           145 
      1  -0.289597D+01  0.563030D+00  0.308761D+01  0.227979D+01 -0.131740D+01
      2  -0.118818D+01 -0.440259D+01  0.124611D+00  0.101060D+01  0.646761D+01
      3   0.574309D+00 -0.255353D+01 -0.750597D+00 -0.166362D+01  0.331401D+01
               146           147           148           149           150 
      1  -0.258437D+01 -0.304289D+00 -0.878947D+00 -0.131012D+01 -0.194209D+01
      2   0.152662D+01 -0.364859D+00  0.350921D+01  0.668678D+00  0.399928D+00
      3  -0.727241D+00 -0.484853D+00  0.275989D+01 -0.997554D+00 -0.474151D-02
               151           152           153           154           155 
      1   0.231321D+00  0.267593D+01  0.212375D+00 -0.355286D+00  0.130604D+01
      2  -0.240704D+01 -0.346142D+00 -0.109944D+01 -0.391357D+01  0.573028D+00
      3  -0.704013D+00  0.223847D+01 -0.240717D+00 -0.129657D+01 -0.508143D+00
               156           157           158           159           160 
      1   0.566006D+00  0.964351D-01 -0.126403D+01 -0.911977D+00 -0.147649D+01
      2  -0.581655D+00  0.328686D+00  0.250874D+00 -0.133955D+01 -0.491209D+01
      3  -0.335084D+00  0.104607D+01  0.653862D+00 -0.223653D+00 -0.612310D+00
               161           162           163           164           165 
      1   0.445288D+01 -0.135902D+01  0.107738D+01  0.108371D+01 -0.885096D+00
      2   0.143013D+00  0.183227D+01 -0.363510D+01 -0.455796D+00  0.205617D+01
      3  -0.143127D+01  0.480725D-01 -0.159028D+01 -0.551026D+01 -0.922561D+00
               166           167           168           169           170 
      1   0.162799D+01  0.575353D+01 -0.310813D+01 -0.939946D+00 -0.104768D+01
      2  -0.149086D+01 -0.227496D+01  0.261527D+01  0.150743D+01  0.261617D+01
      3  -0.334850D+01 -0.236856D+02 -0.153140D+01 -0.269763D+01  0.357528D+01
               171           172           173           174           175 
      1   0.160981D+00 -0.153503D+01  0.590852D+00 -0.957583D+00 -0.163205D+00
      2   0.123581D+01  0.419101D+01  0.753383D+00  0.495036D+01  0.964089D+00
      3  -0.158027D+01  0.283115D+01 -0.273136D+01  0.713553D+00 -0.211001D+01
               176           177           178           179           180 
      1  -0.568811D+00  0.140246D+00 -0.185937D+01  0.305931D+01 -0.740287D+01
      2   0.148196D+01 -0.315511D+01  0.918885D+00  0.219563D+01  0.213239D+02
      3  -0.607933D+00 -0.224699D+01  0.211078D+01 -0.343672D+01  0.734788D+00
               181           182           183           184           185 
      1  -0.185559D+01  0.873684D+00 -0.166577D+00  0.372030D+00 -0.167384D+00
      2  -0.752912D+01  0.706769D+00 -0.345452D+01  0.247638D+01 -0.403751D+01
      3  -0.513991D+01  0.139893D+01 -0.247010D+00  0.404779D+01  0.323371D+00
               186           187           188           189           190 
      1  -0.629389D+00 -0.782513D+00  0.347314D+01 -0.119668D+01  0.120284D+00
      2   0.427980D+01 -0.770694D+01  0.423124D+01 -0.316464D+02 -0.275824D+01
      3   0.368899D+01 -0.639589D+00  0.496607D+01 -0.391411D+01 -0.662901D+01
               191           192           193           194           195 
      1   0.626480D-01 -0.660443D+00  0.296514D+00  0.370404D+00 -0.348848D+01
      2  -0.809413D+00  0.312381D+01 -0.170780D+01 -0.717486D+01  0.722455D+01
      3  -0.780218D+01  0.575932D+00 -0.139116D+02 -0.453503D+02  0.652716D+01
               196           197           198           199           200 
      1  -0.583565D+00  0.395669D+00  0.452192D+00 -0.701414D+00  0.477965D+00
      2   0.483210D+01  0.542303D+01 -0.130274D+01  0.734255D+01  0.159291D+00
      3   0.181364D+01  0.887712D+01 -0.454388D+01  0.269075D+01 -0.332438D+01
               201           202           203           204           205 
      1  -0.913216D+00  0.133860D+00 -0.463811D+00 -0.470834D+00 -0.116793D+01
      2   0.965154D+01 -0.101182D+01  0.323731D+01 -0.448111D+01  0.153515D+02
      3   0.547678D+00 -0.419291D+01 -0.968765D+00 -0.327150D+01  0.405531D+00
               206           207           208           209           210 
      1   0.316128D+01 -0.283839D+01  0.894800D+00 -0.100597D+01  0.290816D-01
      2  -0.144760D+01  0.386757D+02 -0.134987D+02  0.446708D+01  0.126247D+02
      3  -0.700175D+01  0.339730D+01  0.145878D+02 -0.119692D+02 -0.577063D+01
               211           212           213           214           215 
      1  -0.334424D+00  0.104529D+01 -0.654491D+00 -0.518771D+00  0.188571D+01
      2   0.701317D+01 -0.677753D+01 -0.894338D+01  0.149538D+02 -0.597080D+01
      3  -0.141365D+02  0.993331D+01  0.737280D+01 -0.778171D+01  0.100303D+02
               216           217           218           219           220 
      1   0.928982D-01 -0.383680D+01  0.186442D+01  0.463718D+01  0.300002D+01
      2  -0.105836D+02 -0.673901D+01  0.485062D+01  0.742224D+01  0.422358D+01
      3   0.714248D+01  0.542063D+01 -0.101521D+02 -0.158036D+01 -0.379011D+01
               221           222           223           224           225 
      1  -0.309020D+01 -0.458520D+01  0.436233D+01 -0.250980D+01 -0.393656D+01
      2  -0.678442D+01 -0.658720D+01  0.635465D+01 -0.832726D+01 -0.716626D+01
      3   0.118617D+02  0.447126D+01 -0.153872D+01  0.938863D+01  0.527494D+01
               226           227           228           229           230 
      1   0.161565D+01 -0.799070D-01  0.231071D+01 -0.515433D+00  0.158508D+01
      2   0.301315D+01 -0.101669D+01  0.459336D+01 -0.301284D+00  0.342874D+01
      3   0.381493D+01 -0.244791D+01  0.665692D-01  0.322296D+00  0.345549D+01
               231           232           233           234           235 
      1  -0.386204D+01  0.286061D+01 -0.129250D+01  0.134951D+02 -0.110863D+01
      2  -0.395772D+01  0.184827D+01 -0.880365D+01  0.237328D+02 -0.424907D+01
      3  -0.327881D+01 -0.108994D+01 -0.950733D+01  0.778282D+01  0.275347D+02
               236           237           238           239           240 
      1  -0.351391D+00 -0.243548D+01  0.961886D-01 -0.855152D+00 -0.193258D+01
      2  -0.926580D+00 -0.111925D+01 -0.472461D+00 -0.163844D+01 -0.117475D+01
      3   0.101902D+02  0.370452D+01  0.103055D+02  0.640863D+01  0.225485D+01
               241           242           243           244           245 
      1  -0.204007D+01 -0.110200D+00 -0.508494D-01 -0.184656D+01  0.865943D+00
      2  -0.413432D+01 -0.268411D+01 -0.248595D+00  0.457541D+01  0.406910D+00
      3   0.335826D+01  0.344199D+01  0.427516D+01  0.398805D+01 -0.243787D+01
               246           247           248           249           250 
      1  -0.783648D+00  0.549501D+00 -0.278487D+01  0.708663D+00 -0.120757D+01
      2   0.346183D+01  0.141601D+01  0.418601D+01 -0.587418D+01  0.191207D+01
      3   0.117795D+01 -0.303895D+00  0.437436D+01 -0.486421D+01  0.179072D-01
               251           252           253           254           255 
      1   0.463702D+01 -0.261884D+01  0.365430D+01  0.143188D+01 -0.497296D+01
      2  -0.523044D+01  0.144432D+02 -0.616997D+01  0.502216D+01  0.128847D+02
      3  -0.615256D+01  0.592581D+01 -0.309189D+01 -0.151391D+02 -0.101362D+02
               256           257           258           259           260 
      1   0.337313D+01 -0.146711D+00  0.747597D+01 -0.260138D+01  0.129371D+02
      2   0.306361D+01  0.485583D+01 -0.896067D+01  0.935747D+01 -0.119725D+02
      3  -0.161331D+02 -0.107340D+02 -0.781317D+01 -0.893727D+01 -0.480561D+01
               261           262           263           264           265 
      1  -0.389966D+01 -0.249929D+01  0.822009D+00  0.304250D+01  0.230960D+01
      2  -0.122994D+01 -0.659166D+01  0.567575D+01  0.705463D+01  0.414473D+01
      3   0.148440D+02  0.650562D+01 -0.885513D+01 -0.295480D+01 -0.514808D+01
               266           267           268           269           270 
      1  -0.198687D+01 -0.263394D+01  0.346599D+01 -0.136342D+01 -0.472792D+01
      2  -0.562897D+01 -0.582033D+01  0.108468D+02 -0.106879D+02 -0.140354D+02
      3   0.106509D+02  0.365512D+01 -0.801763D+01  0.125542D+02  0.775889D+01
               271           272           273           274           275 
      1  -0.251985D+01 -0.107914D+01  0.398225D+01 -0.464068D+00 -0.528730D+00
      2   0.872538D+01 -0.536176D+01 -0.811938D+01 -0.238551D+01  0.503494D+01
      3  -0.888822D+01  0.762557D+01  0.789327D+01  0.547450D+01 -0.654655D+01
               276           277           278           279           280 
      1  -0.310135D+01  0.262607D+01 -0.585178D+00 -0.587447D+01  0.244550D+01
      2   0.507525D+01 -0.813299D+01  0.848345D+01  0.135881D+02 -0.203170D+01
      3  -0.524419D+01  0.659857D+01 -0.788262D+01 -0.114871D+02 -0.331484D+01
               281           282           283           284           285 
      1  -0.658230D+00  0.202722D+01 -0.510663D-01  0.675015D+01 -0.738113D+01
      2  -0.291715D+00 -0.142504D+01 -0.821968D+00 -0.520818D+01  0.556721D+01
      3   0.276967D+01 -0.141189D+01  0.278966D+01 -0.946372D+01  0.542185D+01
               286           287           288           289           290 
      1   0.157481D+01 -0.527423D+01  0.112998D+02 -0.137480D+01  0.195562D+01
      2  -0.293437D+01  0.572601D+01 -0.933487D+01 -0.205937D+01  0.237044D+00
      3  -0.314060D+01  0.103009D+02 -0.709402D+01  0.725778D+01 -0.603701D+01
               291           292           293           294           295 
      1  -0.318032D+01  0.747129D+00  0.664077D+00 -0.200824D+01 -0.256673D+01
      2   0.520039D+01 -0.658845D-01 -0.451325D+00  0.222983D+01  0.216984D+01
      3   0.125134D+01 -0.874038D+00 -0.170204D+01 -0.126473D+00  0.209859D+01
               296           297 
      1  -0.622826D+00 -0.133151D+01
      2   0.275816D+01  0.330228D+01
      3  -0.157852D+01 -0.105075D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.551213D+01 -0.112558D+02  0.203393D+02  0.160343D+02 -0.150060D+02
      2  -0.419726D+01  0.450080D+01 -0.175115D+01 -0.188343D+01  0.227210D+02
      3   0.970938D+01  0.675498D+01 -0.185882D+02 -0.141509D+02 -0.771504D+01
      4  -0.955780D+01 -0.538342D+01  0.911413D+01  0.141211D+01  0.394556D+00
      5   0.730455D+01  0.705073D+01  0.346880D+01  0.931692D+01  0.319156D+01
      6   0.677661D+01 -0.281964D+01  0.316672D+01  0.703356D+01  0.590758D-01
                 6             7             8             9            10 
      1   0.361417D+01 -0.375916D+02 -0.134580D+02  0.642619D+01  0.607244D+02
      2  -0.524915D+01  0.134121D+02  0.745580D+01 -0.899256D+01 -0.235947D+02
      3   0.163498D+01  0.241795D+02  0.600223D+01  0.256637D+01 -0.371297D+02
      4   0.403863D+01 -0.340791D+01  0.142780D+01 -0.550470D+01  0.264820D+01
      5  -0.666942D+01  0.580140D+01 -0.676028D+01  0.248094D+01  0.452384D+01
      6   0.537775D+00 -0.112620D+02 -0.691025D+01  0.724742D+01  0.149189D+01
                11            12            13            14            15 
      1   0.933297D+00  0.513651D+01 -0.456564D+01 -0.549422D+01  0.755729D+01
      2   0.216274D+01 -0.546365D+01  0.443510D+01  0.653349D+01 -0.386573D+01
      3  -0.309604D+01  0.327135D+00  0.130546D+00 -0.103927D+01 -0.369156D+01
      4   0.253208D+01 -0.516811D+01  0.896374D+01  0.342164D+01  0.521206D+00
      5  -0.507690D+01  0.395555D+01  0.124489D+02 -0.115913D+00  0.132105D+01
      6  -0.155322D+01  0.301760D+01  0.459950D+01  0.347595D+01  0.111542D+02
                16            17            18            19            20 
      1   0.618309D+01  0.100415D+02 -0.128067D+02  0.121724D+02  0.183553D+02
      2   0.293190D+01  0.533715D+01  0.247433D+01  0.300522D+01 -0.150181D+02
      3  -0.911499D+01 -0.153786D+02  0.103324D+02 -0.151777D+02 -0.333723D+01
      4   0.189486D+02  0.561301D+00 -0.614701D+00  0.199853D+01  0.278983D+01
      5  -0.706232D+01 -0.110042D+00  0.445308D+01 -0.128194D+02  0.184799D+01
      6   0.494023D+01  0.532784D+01 -0.440752D+01 -0.345707D+01  0.467826D+01
                21            22            23            24            25 
      1  -0.167820D+02 -0.156563D+02 -0.337400D+01 -0.148219D+02  0.169769D+02
      2   0.117701D+02  0.460053D+01  0.113584D+02 -0.633054D+01 -0.450933D+01
      3   0.501187D+01  0.110558D+02 -0.798445D+01  0.211525D+02 -0.124676D+02
      4   0.147339D+00  0.128163D+02 -0.651604D+01 -0.102628D+01  0.334343D+01
      5  -0.117330D+02 -0.151155D+00 -0.809799D+00 -0.615152D+00  0.823538D+01
      6  -0.647498D+01 -0.488346D+01 -0.306489D+01  0.440646D+00  0.141474D+02
                26            27            28            29            30 
      1  -0.664695D+01  0.843373D+00  0.146209D+02  0.443181D+01 -0.151480D+00
      2  -0.195726D+01 -0.239910D+01 -0.364027D+01 -0.226045D+01 -0.290159D+01
      3   0.860420D+01  0.155573D+01 -0.109806D+02 -0.217136D+01  0.305307D+01
      4  -0.144196D+01  0.931227D+01  0.483678D+01  0.564472D+01 -0.154878D+01
      5   0.887006D+01 -0.630011D+01  0.737641D+01 -0.921742D+00  0.707849D+01
      6   0.242762D+01  0.132492D+02  0.944338D+01  0.413064D+01 -0.543425D+00
                31            32            33            34            35 
      1  -0.761003D+01 -0.661558D+01  0.893307D+01  0.216105D+01  0.117761D+02
      2  -0.207845D+01  0.218099D+01 -0.416410D+01  0.443318D+01  0.416433D+01
      3   0.968848D+01  0.443459D+01 -0.476897D+01 -0.659423D+01 -0.159405D+02
      4   0.101267D+02  0.366088D+01  0.326951D+01  0.212038D+02  0.214596D+01
      5   0.177984D+02  0.440696D+01  0.122408D+01 -0.409647D+01 -0.347962D+01
      6   0.481299D+01  0.570153D+01  0.102893D+02  0.246246D+01  0.569403D+01
                36            37            38            39            40 
      1  -0.145299D+02  0.366308D+01 -0.842823D+01  0.219709D+02  0.122075D+02
      2   0.264277D+01 -0.894137D+01  0.211157D+01 -0.447838D+01  0.522060D+00
      3   0.118871D+02  0.527829D+01  0.631666D+01 -0.174925D+02 -0.127296D+02
      4  -0.370245D+01 -0.121532D+02 -0.538719D+01  0.610838D+01  0.495496D+01
      5  -0.110888D+01  0.860534D+01  0.382372D+01  0.356599D+01  0.438036D+01
      6  -0.596548D+01  0.379615D+01 -0.384011D+01 -0.241427D+01  0.385154D+01
                41            42            43            44            45 
      1  -0.662147D+01 -0.431854D+00 -0.249183D+02 -0.112229D+02  0.892943D+01
      2   0.129256D+02 -0.187408D+01  0.488684D+01  0.216889D+01 -0.768533D+01
      3  -0.630417D+01  0.230593D+01  0.200315D+02  0.905397D+01 -0.124410D+01
      4   0.813977D+00  0.918270D+00 -0.772641D+01 -0.466762D+01 -0.622773D+01
      5   0.257287D+01 -0.821319D+01  0.776980D+01 -0.572553D+01  0.650902D+00
      6   0.216629D+01  0.228984D+01 -0.140755D+02 -0.490532D+01  0.710240D+01
                46            47            48            49            50 
      1  -0.580362D+01  0.109260D+02 -0.148075D+02 -0.249279D+02  0.224810D+01
      2   0.106026D+02 -0.640087D+01  0.943660D+01  0.926866D+01  0.423252D+01
      3  -0.479897D+01 -0.452514D+01  0.537092D+01  0.156593D+02 -0.648062D+01
      4   0.676794D+01  0.716595D+01 -0.638322D+00  0.132408D+02 -0.441254D+01
      5  -0.131675D+02  0.146990D+01 -0.876833D+01 -0.742377D+01 -0.303746D+00
      6   0.115306D+01  0.327586D+01 -0.471497D+01 -0.274046D+01  0.182968D+01
                51            52            53            54            55 
      1  -0.212132D+02  0.271898D+02 -0.595087D+01 -0.424780D+00 -0.629661D+02
      2   0.760646D-01 -0.713001D+01 -0.158441D+01  0.716136D+00  0.228299D+02
      3   0.211371D+02 -0.200598D+02  0.753528D+01 -0.291356D+00  0.401362D+02
      4   0.417012D+00  0.321646D+01 -0.502570D+00  0.517392D+01  0.823197D+01
      5   0.473071D+00  0.529892D+01  0.492186D+01 -0.636150D+01  0.432954D+01
      6   0.416280D+01  0.861518D+01  0.349643D+01  0.158659D+02  0.249697D+00
                56            57            58            59            60 
      1   0.111420D+02  0.400180D+01  0.491575D+02 -0.114031D+02 -0.606982D+01
      2  -0.771537D+01  0.110337D-01 -0.362439D+02 -0.124991D+02  0.123706D+01
      3  -0.342667D+01 -0.401283D+01 -0.129136D+02  0.239022D+02  0.483276D+01
      4  -0.192317D+02 -0.298648D+01 -0.372308D+02 -0.451871D+02  0.153988D+01
      5  -0.290252D+01 -0.841730D+01 -0.676246D+01  0.302477D+01  0.681958D+01
      6  -0.189303D+01 -0.958186D+00 -0.395916D+01 -0.170952D+01  0.168324D+01
                61            62            63            64            65 
      1   0.464760D+02 -0.900549D+01 -0.154576D+01 -0.261246D+02 -0.385697D+02
      2  -0.137118D+02  0.583863D+01  0.139354D+02  0.196943D+02  0.158355D+02
      3  -0.327642D+02  0.316686D+01 -0.123896D+02  0.643030D+01  0.227342D+02
      4  -0.879878D+01  0.133229D+02  0.239954D+01 -0.430337D+02  0.175196D+02
      5  -0.209924D+02  0.258082D+01 -0.420834D+02 -0.145981D+02  0.421891D+01
      6  -0.196209D+01  0.107756D+00 -0.617683D+01  0.249488D+01  0.196130D+01
                66            67            68            69            70 
      1  -0.115273D+02 -0.851459D+02  0.317881D+02 -0.111199D+00 -0.514621D+02
      2   0.793052D+01  0.439943D+02 -0.186487D+02  0.398301D+00  0.211347D+02
      3   0.359680D+01  0.411515D+02 -0.131394D+02 -0.287102D+00  0.303274D+02
      4   0.402077D+01  0.299849D+02  0.437517D+02 -0.591893D+01  0.606083D+01
      5   0.172579D+02  0.636892D+01 -0.718908D+01 -0.142086D+02  0.371376D+02
      6  -0.542718D+00 -0.158432D+01  0.326025D+01 -0.939958D+00 -0.187301D+01
                71            72            73            74            75 
      1   0.207531D+01  0.297375D+02  0.335926D+02  0.455158D+02  0.272791D+02
      2  -0.145866D+01 -0.841559D+01 -0.153901D+02 -0.258777D+02 -0.126061D+02
      3  -0.616648D+00 -0.213219D+02 -0.182026D+02 -0.196381D+02 -0.146730D+02
      4  -0.127585D+02 -0.158049D+02  0.466740D+02 -0.199329D+02 -0.805864D+01
      5  -0.150584D+02  0.652513D+02  0.307354D+02 -0.894956D+01 -0.313313D+02
      6   0.622432D+01  0.228937D+00 -0.141013D+00  0.138062D+01 -0.172084D+00
                76            77            78            79            80 
      1   0.666560D+02 -0.325785D+02 -0.128010D+02  0.476143D+02 -0.108384D+02
      2  -0.394532D+02  0.742918D+01  0.804185D+01 -0.200704D+02  0.753004D+01
      3  -0.272028D+02  0.251493D+02  0.475914D+01 -0.275439D+02  0.330836D+01
      4  -0.412613D+02 -0.656328D+02  0.246344D+02 -0.100143D+02  0.254161D+02
      5  -0.127269D+02  0.272821D+02  0.187577D+02 -0.553952D+02  0.151221D+02
      6   0.413643D+01  0.394425D+01 -0.767916D+00  0.435152D+00 -0.164701D+01
                81            82            83            84            85 
      1  -0.438957D+02  0.409726D+02  0.319158D+02  0.209927D+02  0.343611D+02
      2   0.292703D+02 -0.318298D+02 -0.100808D+02 -0.827564D+01 -0.123954D+02
      3   0.146254D+02 -0.914278D+01 -0.218349D+02 -0.127170D+02 -0.219657D+02
      4   0.153727D+02  0.300548D+02 -0.271707D+02 -0.147248D+02 -0.327354D+02
      5  -0.571174D+02  0.212121D+02 -0.107806D+02 -0.158327D+02 -0.100860D+02
      6  -0.293753D+01 -0.138394D+02  0.352450D+01  0.892915D+01  0.559362D+01
                86            87            88            89            90 
      1  -0.297543D+02 -0.344371D+01  0.299743D+02 -0.747404D+01 -0.103004D+02
      2   0.228435D+02 -0.421844D+01 -0.867723D+01 -0.293264D+01  0.390994D+01
      3   0.691084D+01  0.766215D+01 -0.212971D+02  0.104067D+02  0.639049D+01
      4  -0.149266D+02  0.132056D+02 -0.158393D+02  0.231653D+02  0.324401D+02
      5   0.127897D+02  0.186259D+02 -0.260361D+02  0.279420D+02 -0.388371D+02
      6  -0.105408D+02 -0.907889D+01  0.124936D+02 -0.140762D+02  0.179228D+02
                91            92            93            94            95 
      1   0.823560D+00  0.189192D+02  0.107387D+02  0.205489D+02 -0.203235D+01
      2  -0.160774D+01 -0.139341D+02 -0.251533D+01 -0.219289D+02 -0.561222D+01
      3   0.784176D+00 -0.498508D+01 -0.822337D+01  0.138004D+01  0.764456D+01
      4   0.154358D+02 -0.119454D+02 -0.434840D+01 -0.374086D+02 -0.241175D+02
      5   0.851959D+01 -0.433813D+01 -0.835643D+01 -0.208521D+02 -0.171808D+02
      6  -0.104725D+01 -0.483419D+01 -0.189322D+01 -0.123432D+02 -0.113989D+02
                96            97            98            99           100 
      1  -0.769063D+01  0.268047D+02 -0.104233D+02 -0.106260D+02 -0.630874D+01
      2  -0.642061D+01 -0.104953D+02 -0.523033D+01  0.136844D+02  0.375788D+01
      3   0.141112D+02 -0.163093D+02  0.156537D+02 -0.305840D+01  0.255086D+01
      4  -0.163986D+02 -0.195010D+02 -0.436406D+01  0.218780D+02 -0.125755D+02
      5   0.147855D+02 -0.228992D+02  0.220746D+02 -0.152383D+02  0.121185D+02
      6  -0.969364D+01  0.256476D+01 -0.183763D+01  0.597729D+01  0.346975D+01
               101           102           103           104           105 
      1  -0.131990D+02  0.169361D+01 -0.259078D+02  0.313089D+01  0.243953D+02
      2   0.123199D+02 -0.637580D+01  0.248989D+02 -0.107385D+02 -0.210364D+02
      3   0.879051D+00  0.468219D+01  0.100897D+01  0.760760D+01 -0.335892D+01
      4  -0.377007D+01  0.138165D+02 -0.264157D+01  0.750463D+01 -0.512470D+01
      5   0.143271D+02 -0.817147D+00  0.412190D+02 -0.490025D+01 -0.313611D+02
      6   0.331599D+01 -0.187603D+01 -0.347256D+01  0.596659D+01  0.473461D+00
               106           107           108           109           110 
      1   0.282156D+02  0.182775D+02 -0.124154D+01  0.504789D+02  0.170516D+02
      2  -0.188629D+02 -0.104292D+02  0.945265D+01 -0.316543D+02 -0.101740D+02
      3  -0.935270D+01 -0.784836D+01 -0.821112D+01 -0.188246D+02 -0.687753D+01
      4   0.237157D+02  0.111152D+02 -0.242573D+02  0.210669D+02  0.191237D+02
      5  -0.109825D+02 -0.238870D+02  0.275432D+02 -0.365386D+02 -0.117429D+02
      6  -0.488950D+01 -0.403758D+01  0.428014D+01 -0.490780D+01 -0.419769D+01
               111           112           113           114           115 
      1  -0.245204D+02  0.364926D+02  0.728109D+01 -0.114376D+02 -0.484923D+02
      2   0.178558D+02 -0.210063D+02 -0.290619D+01  0.120342D+02  0.320777D+02
      3   0.666461D+01 -0.154863D+02 -0.437490D+01 -0.596620D+00  0.164146D+02
      4  -0.914515D+01  0.212296D+02  0.338672D+02 -0.154743D+02 -0.115811D+02
      5   0.233074D+02 -0.249823D+02 -0.161609D+02  0.266142D+02  0.457348D+02
      6   0.380788D+01 -0.471440D+01 -0.870414D+01  0.104584D+02  0.145662D+01
               116           117           118           119           120 
      1  -0.529681D+01  0.109647D+02  0.104096D+01 -0.434145D+01  0.166299D+02
      2   0.796856D+01 -0.298505D+02  0.185054D+01  0.105645D+01 -0.681787D+01
      3  -0.267175D+01  0.188858D+02 -0.289150D+01  0.328500D+01 -0.981204D+01
      4  -0.273848D+02  0.213169D+02  0.283239D+01 -0.640785D+01 -0.201727D+02
      5   0.211263D+02 -0.640588D+02  0.226938D+02 -0.165357D+02 -0.980431D+01
      6   0.120948D+02 -0.902086D+01 -0.943288D+01  0.777107D+01  0.499249D+01
               121           122           123           124           125 
      1  -0.990066D+01 -0.153258D+02 -0.158851D+02  0.317376D+02 -0.223983D+02
      2  -0.232833D+01  0.314337D+02  0.764090D+01 -0.109588D+02  0.531028D+01
      3   0.122290D+02 -0.161079D+02  0.824418D+01 -0.207788D+02  0.170880D+02
      4   0.120450D+02 -0.353552D+02  0.182996D+02 -0.381169D+02  0.355272D+02
      5  -0.208679D+02  0.200563D+02  0.743499D+01 -0.135843D+02  0.877561D+01
      6   0.739923D+01 -0.372122D+01  0.300761D+01  0.837322D+01  0.832517D+00
               126           127           128           129           130 
      1  -0.130411D+02  0.162830D+01 -0.374153D+01  0.185460D+01 -0.389887D+00
      2   0.609012D+01  0.730624D+00  0.516029D+01 -0.909851D+00  0.103974D+01
      3   0.695098D+01 -0.235892D+01 -0.141876D+01 -0.944744D+00 -0.649853D+00
      4   0.111424D+02  0.110610D+02  0.974829D+01 -0.715266D+01  0.866143D+01
      5   0.264389D+02 -0.128406D+02 -0.819576D+01  0.104711D+02 -0.108029D+02
      6  -0.104940D+02 -0.881776D+01 -0.773270D+01  0.794180D+01 -0.857572D+01
               131           132           133           134           135 
      1  -0.843498D+01  0.809951D+01  0.530947D+01  0.110644D+02 -0.132706D+02
      2   0.754504D+01 -0.295441D+01 -0.141953D+01 -0.693024D+01  0.234190D+01
      3   0.889942D+00 -0.514509D+01 -0.388995D+01 -0.413415D+01  0.109287D+02
      4   0.106122D+02 -0.756102D+01 -0.785630D+01 -0.785467D+01  0.830663D+01
      5  -0.907846D+01  0.106071D+02  0.109690D+02  0.951909D+01 -0.146074D+02
      6  -0.121733D+02  0.119193D+02  0.945671D+01  0.140881D+02 -0.159820D+02
               136           137           138           139           140 
      1  -0.310188D+01  0.187532D+01 -0.602061D+01  0.395800D+01 -0.770831D+01
      2  -0.349294D+01  0.496718D+00 -0.410279D+01  0.161071D+00  0.189948D+01
      3   0.659482D+01 -0.237204D+01  0.101234D+02 -0.411907D+01  0.580883D+01
      4  -0.491074D+01  0.396275D+01 -0.550422D+01  0.322310D+01 -0.351762D+01
      5   0.920135D+01 -0.384185D+01  0.116783D+02 -0.387363D+01  0.316042D+01
      6  -0.505983D+01  0.336161D+01 -0.529034D+01  0.382052D+01 -0.812958D+01
               141           142           143           144           145 
      1   0.131674D+02 -0.804579D+01  0.126864D+02 -0.283900D+02  0.385476D+01
      2   0.830230D+00 -0.210457D+01 -0.202629D+01 -0.599846D+01 -0.218697D+01
      3  -0.139976D+02  0.101504D+02 -0.106601D+02  0.343884D+02 -0.166779D+01
      4   0.433899D+01 -0.616151D+01  0.667064D+01 -0.990205D+01  0.517004D+01
      5  -0.474906D+01  0.105157D+02 -0.607652D+01  0.161307D+02 -0.959306D+01
      6   0.114262D+02 -0.811751D+01  0.132731D+02 -0.215747D+02 -0.367912D+01
               146           147           148           149           150 
      1  -0.156310D+01  0.111819D+01 -0.235504D+01 -0.549339D+01  0.632213D+01
      2   0.170192D+01  0.942468D+00  0.477688D+00  0.354849D+01 -0.448632D+00
      3  -0.138821D+00 -0.206066D+01  0.187735D+01  0.194490D+01 -0.587350D+01
      4   0.512348D+01 -0.300395D+01  0.484700D+01  0.559176D+01 -0.338160D+01
      5  -0.415957D+01  0.759188D+01 -0.665655D+01 -0.577276D+01  0.785466D+01
      6  -0.315271D+01  0.380737D+01 -0.425812D+01 -0.669804D+01  0.677133D+01
               151           152           153           154           155 
      1   0.359118D+01  0.698299D+01 -0.103655D+02 -0.111240D+01  0.198688D+00
      2   0.851743D+00 -0.283407D+01 -0.118469D+01 -0.427050D+01  0.143347D+01
      3  -0.444293D+01 -0.414892D+01  0.115502D+02  0.538290D+01 -0.163216D+01
      4  -0.408641D+01 -0.421531D+01  0.402215D+01 -0.349499D+01  0.295839D+01
      5   0.954145D+01  0.587741D+01 -0.116530D+02  0.765941D+01 -0.299258D+01
      6   0.557724D+01  0.809847D+01 -0.966391D+01 -0.202684D+01  0.189054D+01
               156           157           158           159           160 
      1  -0.386840D+01  0.319847D+01 -0.573171D+01  0.105068D+02 -0.324369D+01
      2  -0.504412D+01 -0.464652D-01  0.516027D+00  0.222356D+01 -0.533692D+01
      3   0.891252D+01 -0.315201D+01  0.521568D+01 -0.127303D+02  0.858061D+01
      4  -0.341680D+01  0.234507D+01 -0.252671D+01  0.345549D+01 -0.490474D+01
      5   0.103887D+02 -0.291443D+01  0.299936D+01 -0.381904D+01  0.104784D+02
      6  -0.150357D+01  0.258084D+01 -0.492018D+01  0.648425D+01 -0.396463D+01
               161           162           163           164           165 
      1   0.757808D+01 -0.232125D+02  0.163441D+02  0.713359D+01 -0.195078D+01
      2   0.582954D+00 -0.102056D+02 -0.168142D+01  0.190371D+00  0.730132D+00
      3  -0.816103D+01  0.334181D+02 -0.146627D+02 -0.732396D+01  0.122065D+01
      4   0.507082D+01 -0.717327D+01  0.149977D+02  0.195457D+02  0.214809D+01
      5  -0.469527D+01  0.161869D+02 -0.134168D+01  0.257743D+01  0.376611D+01
      6   0.804793D+01 -0.116786D+02  0.103687D+01  0.167664D+01  0.777779D+00
               166           167           168           169           170 
      1   0.130146D+02 -0.105196D+02 -0.105841D+00 -0.170232D+02  0.242578D+00
      2   0.470176D+01  0.333347D+02  0.596711D+00  0.511815D+01 -0.311789D+01
      3  -0.177163D+02 -0.228151D+02 -0.490871D+00  0.119051D+02  0.287532D+01
      4   0.314326D+02  0.584096D+02  0.344961D+01 -0.390093D+01 -0.859445D+01
      5   0.392523D+01  0.212799D+01  0.518954D+01  0.526212D+01  0.586892D+01
      6   0.343350D+01  0.735436D+01  0.542659D+01  0.194738D+01  0.561580D+01
               171           172           173           174           175 
      1  -0.184117D+01  0.728266D+01 -0.213550D+01  0.589429D+01 -0.115451D+02
      2   0.129464D+01 -0.794061D+01  0.122312D+01 -0.568613D+01  0.704080D+01
      3   0.546531D+00  0.657949D+00  0.912382D+00 -0.208159D+00  0.450428D+01
      4   0.592671D+01 -0.114609D+01  0.482997D+01  0.250403D+01  0.473634D+01
      5   0.166005D+01  0.112736D+02  0.177345D+01  0.143668D+02 -0.249302D+01
      6   0.142256D+00  0.950467D+00  0.130813D+01  0.151609D+01  0.100933D+01
               176           177           178           179           180 
      1  -0.771405D+00 -0.670286D+00  0.110522D+02 -0.231518D+01 -0.121196D+02
      2   0.793187D+00  0.247500D+01 -0.121019D+02  0.578066D+00 -0.155231D+02
      3  -0.217821D-01 -0.180471D+01  0.104973D+01  0.173711D+01  0.276427D+02
      4   0.260476D+01  0.463430D+01  0.349023D+01  0.674383D+01  0.535315D+01
      5   0.477665D+01 -0.660947D+01  0.193615D+02  0.518437D+01  0.459572D+02
      6   0.461818D+00  0.395986D+01  0.379538D+01  0.567842D+01  0.110373D+02
               181           182           183           184           185 
      1  -0.310595D+01  0.693958D+01 -0.871850D+01  0.146458D+02 -0.801681D+01
      2  -0.192174D+01 -0.272298D+01  0.269509D+01 -0.728450D+01  0.377140D+01
      3   0.502769D+01 -0.421660D+01  0.602341D+01 -0.736128D+01  0.424542D+01
      4   0.757433D+01 -0.169811D+01 -0.677891D+00  0.189690D+00 -0.113750D+01
      5  -0.653149D+01 -0.653052D+00 -0.523984D+00  0.989497D+00 -0.637261D+01
      6  -0.199274D+00 -0.118100D+00 -0.432049D-01  0.544169D+00 -0.208158D+01
               186           187           188           189           190 
      1   0.197594D+01 -0.182207D+02  0.913781D-01 -0.211039D+02  0.131699D+02
      2   0.136716D-01  0.868625D+01  0.262430D+01 -0.876942D+01 -0.374922D+01
      3  -0.198962D+01  0.953442D+01 -0.271567D+01  0.298733D+02 -0.942064D+01
      4  -0.603359D+01 -0.688822D+00 -0.904029D+01  0.718900D+01  0.152597D+02
      5   0.716798D+01  0.551947D+00  0.705113D+01 -0.565301D+02 -0.583811D+01
      6   0.722340D+01 -0.153332D+00  0.337653D+01 -0.165809D+01 -0.125698D+01
               191           192           193           194           195 
      1   0.138667D+02 -0.554067D+01  0.347919D+02  0.222044D+02 -0.125353D+01
      2  -0.458566D+01  0.248353D+01 -0.116970D+02  0.658048D+01 -0.810819D+00
      3  -0.928103D+01  0.305714D+01 -0.230950D+02 -0.287849D+02  0.206435D+01
      4   0.200087D+02 -0.240661D+01  0.448021D+02  0.913737D+02 -0.132438D+02
      5  -0.241941D+01  0.641622D+01 -0.530069D+01 -0.148479D+02  0.136397D+02
      6  -0.587542D+00  0.525609D+00 -0.254950D+01 -0.476290D+01  0.587851D+01
               196           197           198           199           200 
      1  -0.126316D+02 -0.201602D+01  0.815830D+01  0.219986D+02 -0.417953D+01
      2   0.578983D+01 -0.614956D+00 -0.432905D+01 -0.143408D+02  0.265224D+01
      3   0.684182D+01  0.263097D+01 -0.382925D+01 -0.765778D+01  0.152729D+01
      4  -0.646035D+01 -0.170483D+02  0.105325D+02 -0.365642D+01  0.578548D+01
      5   0.145560D+02  0.113933D+02 -0.300678D+01  0.164998D+02  0.105220D+00
      6   0.248955D+01  0.635475D+01 -0.265799D+01  0.425430D+00 -0.662211D-01
               201           202           203           204           205 
      1   0.151770D+02 -0.131240D+02  0.693197D+01 -0.148251D+01  0.416305D+02
      2  -0.952628D+01  0.782414D+01 -0.307904D+01  0.152680D+01 -0.267840D+02
      3  -0.565069D+01  0.529981D+01 -0.385293D+01 -0.442832D-01 -0.148465D+02
      4   0.353493D+00  0.121524D+02  0.306718D+01  0.726631D+01  0.263386D+01
      5   0.220739D+02 -0.354879D+01  0.677618D+01 -0.884885D+01  0.446528D+02
      6   0.106744D+01  0.165103D+01 -0.109468D+01  0.400656D+01  0.105045D+01
               206           207           208           209           210 
      1   0.265807D+01  0.265381D+02  0.967832D+02 -0.262253D+02 -0.302163D+02
      2  -0.996814D+00 -0.270032D+02 -0.506790D+02  0.136664D+02  0.166185D+02
      3  -0.166125D+01  0.465023D+00 -0.461042D+02  0.125588D+02  0.135978D+02
      4   0.130527D+02 -0.339945D+01 -0.269293D+02  0.204894D+02  0.967465D+01
      5  -0.249394D+01  0.776379D+02 -0.345960D+02  0.104522D+02  0.255088D+02
      6   0.417278D+01  0.329855D+01  0.155672D+01 -0.718940D+00 -0.208544D+00
               211           212           213           214           215 
      1  -0.612241D+02  0.237391D+02  0.142798D+02 -0.586296D+02  0.113526D+02
      2   0.313032D+02 -0.949138D+01 -0.803226D+01  0.323730D+02 -0.690113D+01
      3   0.299209D+02 -0.142477D+02 -0.624754D+01  0.262567D+02 -0.445149D+01
      4   0.316853D+02 -0.182554D+02 -0.141513D+02  0.136307D+02 -0.175384D+02
      5   0.188159D+02 -0.146030D+02 -0.176442D+02  0.398710D+02 -0.127507D+02
      6  -0.275882D+01  0.219857D+01  0.252258D+01 -0.180965D+01  0.292953D+01
               216           217           218           219           220 
      1   0.288910D+02  0.328743D+02 -0.187802D+02 -0.124449D+02 -0.155570D+02
      2  -0.195100D+02 -0.778266D+01 -0.983286D+00  0.387402D+01 -0.236581D+01
      3  -0.938102D+01 -0.250916D+02  0.197635D+02  0.857093D+01  0.179228D+02
      4  -0.121764D+02 -0.404650D+02  0.387905D+02  0.151626D+02  0.359133D+02
      5  -0.237935D+02 -0.186656D+02  0.121984D+02  0.156311D+02  0.114689D+02
      6   0.227193D+01  0.929487D+01 -0.723297D+01 -0.846276D+01 -0.759821D+01
               221           222           223           224           225 
      1   0.963889D+01  0.322593D+01 -0.197754D+02  0.575119D+01  0.757583D+01
      2   0.112286D+02  0.386032D+01  0.651274D+01  0.464067D+01 -0.255398D+01
      3  -0.208675D+02 -0.708625D+01  0.132627D+02 -0.103919D+02 -0.502185D+01
      4  -0.419121D+02 -0.170537D+02  0.242754D+02 -0.286924D+02 -0.214562D+02
      5  -0.158345D+02 -0.126876D+02  0.204632D+02 -0.189838D+02 -0.168035D+02
      6   0.112081D+02  0.957909D+01 -0.104537D+02  0.123406D+02  0.976397D+01
               226           227           228           229           230 
      1   0.264050D+01 -0.585431D+01  0.639071D+01 -0.290776D+01 -0.148078D+01
      2  -0.929511D+00  0.133233D+01 -0.405509D+01 -0.389015D+00  0.332667D+01
      3  -0.171098D+01  0.452198D+01 -0.233561D+01  0.329678D+01 -0.184590D+01
      4  -0.914871D+01  0.979717D+01 -0.456968D+01  0.800955D+01 -0.996881D+01
      5   0.835736D+01 -0.305534D+01  0.121532D+02 -0.144182D+01  0.787099D+01
      6  -0.284207D+01  0.135865D+01 -0.436804D+01  0.195855D+01 -0.540737D+01
               231           232           233           234           235 
      1   0.343935D+01  0.113480D+02  0.574946D+01 -0.423396D+01 -0.565079D+02
      2  -0.402073D+01 -0.650767D+01 -0.674636D+01 -0.473049D+01  0.321328D+02
      3   0.581381D+00 -0.484029D+01  0.996902D+00  0.896444D+01  0.243751D+02
      4   0.816592D+01 -0.103635D+02  0.199400D+02 -0.220011D+02  0.799781D+01
      5  -0.845699D+01  0.164476D+02 -0.193041D+02  0.495896D+02 -0.539631D+01
      6   0.103256D+02 -0.727846D+01  0.139590D+02 -0.264938D+02  0.474515D+01
               236           237           238           239           240 
      1  -0.212654D+02 -0.100145D+02 -0.148614D+02 -0.141553D+02 -0.314898D+01
      2   0.183957D+02  0.560418D+01  0.126952D+02  0.135866D+02  0.316654D+01
      3   0.286968D+01  0.441036D+01  0.216618D+01  0.568687D+00 -0.175539D-01
      4  -0.829633D+01  0.190525D+01  0.185248D+01 -0.240411D+01 -0.166316D+01
      5  -0.684808D+00 -0.246221D+01 -0.673591D+00 -0.240188D+01 -0.294616D+01
      6   0.237626D+01  0.383867D+01  0.134220D+01  0.227625D+01  0.370397D+01
               241           242           243           244           245 
      1  -0.105119D+02 -0.496076D+01 -0.702929D+01  0.162794D+01 -0.576698D+01
      2   0.498994D+01  0.435586D+01  0.357133D+01 -0.588017D+01  0.422231D+01
      3   0.552192D+01  0.604902D+00  0.345796D+01  0.425223D+01  0.154467D+01
      4   0.176492D+01 -0.450817D+01 -0.470386D+01 -0.701419D+01  0.548307D+01
      5   0.101198D+01 -0.555463D+01  0.121136D+01  0.112993D+02 -0.308652D+01
      6   0.221560D+01  0.510078D+01  0.671826D+00 -0.372143D+01  0.120855D+01
               246           247           248           249           250 
      1   0.494029D+01 -0.830556D+01 -0.113689D+01  0.373010D+01  0.500592D+01
      2  -0.538986D+01  0.573717D+01 -0.166896D+01  0.329569D+01 -0.788496D+01
      3   0.449565D+00  0.256839D+01  0.280585D+01 -0.702580D+01  0.287905D+01
      4  -0.264382D+01  0.842664D+01 -0.908517D+01  0.982628D+01 -0.287974D+01
      5   0.125597D+02 -0.444757D+01  0.102989D+02 -0.141522D+02  0.181281D+02
      6  -0.109425D+01  0.314045D+01 -0.587355D+01  0.787645D+01 -0.210370D+01
               251           252           253           254           255 
      1   0.148934D+01 -0.570159D+01 -0.445136D+02 -0.371523D+02 -0.359948D+02
      2   0.553372D+01 -0.154762D+02  0.225887D+02  0.207720D+02  0.134025D+02
      3  -0.702306D+01  0.211778D+02  0.219249D+02  0.163803D+02  0.225923D+02
      4   0.116385D+02 -0.111106D+02 -0.490361D+02 -0.624883D+01 -0.122539D+02
      5  -0.109987D+02  0.362460D+02 -0.438324D+02 -0.836000D+01  0.124681D+01
      6   0.694308D+01 -0.653213D+01 -0.217105D+02  0.218982D+01  0.936002D+01
               256           257           258           259           260 
      1  -0.201271D+02 -0.239400D+01 -0.162186D+01 -0.334908D+02  0.246898D+00
      2   0.209974D+02  0.135527D+02  0.149162D+02  0.133418D+02  0.135359D+02
      3  -0.870277D+00 -0.111587D+02 -0.132943D+02  0.201490D+02 -0.137828D+02
      4   0.142970D+02  0.279178D+02  0.156436D+02 -0.794317D+01  0.101391D+02
      5   0.739135D+00  0.164922D+02 -0.104222D+02  0.490267D+01 -0.174533D+02
      6   0.102532D+02  0.140655D+02 -0.640708D+01  0.800263D+01 -0.140415D+02
               261           262           263           264           265 
      1   0.236596D+02  0.350301D+02 -0.210775D+02 -0.158405D+02 -0.115667D+02
      2  -0.209789D+02 -0.142239D+02  0.680692D+01  0.702181D+01  0.103725D+01
      3  -0.268067D+01 -0.208062D+02  0.142706D+02  0.881867D+01  0.105294D+02
      4  -0.108286D+02 -0.347636D+02  0.287250D+02  0.158844D+02  0.237016D+02
      5   0.652279D+01 -0.216229D+02  0.142865D+02  0.170098D+02  0.102080D+02
      6  -0.420850D+01  0.899295D+01 -0.646172D+01 -0.594940D+01 -0.536528D+01
               266           267           268           269           270 
      1   0.860405D+01  0.403140D+01 -0.265370D+02  0.156761D+02  0.152450D+02
      2   0.321196D+01  0.485329D+00  0.124878D+02 -0.460004D+01 -0.864490D+01
      3  -0.118160D+02 -0.451673D+01  0.140492D+02 -0.110761D+02 -0.660011D+01
      4  -0.304236D+02 -0.126270D+02  0.338927D+02 -0.340392D+02 -0.265116D+02
      5  -0.114630D+02 -0.105605D+02  0.307505D+02 -0.243257D+02 -0.294417D+02
      6   0.793931D+01  0.612302D+01 -0.127995D+02  0.129753D+02  0.135508D+02
               271           272           273           274           275 
      1  -0.128144D+02  0.185149D+02  0.208838D+02  0.824553D+01 -0.152746D+02
      2   0.522371D+01 -0.128669D+02 -0.722551D+01 -0.608556D+01  0.120174D+02
      3   0.759073D+01 -0.564802D+01 -0.136583D+02 -0.215997D+01  0.325721D+01
      4  -0.418692D+00 -0.355454D+01  0.891831D+00  0.195249D+01  0.277869D+01
      5   0.380189D+01 -0.280606D+01 -0.494816D+01  0.206984D+00  0.297346D+01
      6   0.893273D+01 -0.108153D+02 -0.132366D+02 -0.491297D+01  0.113397D+02
               276           277           278           279           280 
      1  -0.111861D+02  0.168113D+02 -0.173840D+02 -0.284313D+02  0.199449D+01
      2   0.666708D+01 -0.619962D+01  0.863839D+01  0.632382D+01  0.110421D+01
      3   0.451898D+01 -0.106117D+02  0.874563D+01  0.221074D+02 -0.309870D+01
      4   0.237881D+01  0.539711D+01  0.759026D+01  0.646945D+01  0.520122D+01
      5   0.566990D+01  0.112843D+01  0.112248D+02  0.157664D+02  0.672150D-01
      6   0.125854D+02 -0.597298D+01  0.181082D+02  0.230085D+02 -0.887692D+00
               281           282           283           284           285 
      1   0.877696D+01 -0.563945D+00  0.629508D+01 -0.115695D+02  0.479322D+01
      2  -0.732073D+01  0.152700D+01 -0.318383D+01  0.217236D+02 -0.123423D+02
      3  -0.145623D+01 -0.963052D+00 -0.311126D+01 -0.101541D+02  0.754904D+01
      4   0.141730D+01 -0.170130D+00  0.557477D+01  0.149663D+02 -0.825228D+01
      5   0.168756D+01 -0.849522D+00  0.818318D+00 -0.101642D+02  0.106228D+02
      6  -0.338569D-01 -0.276334D+01 -0.346498D+00 -0.694944D+01  0.958100D+01
               286           287           288           289           290 
      1  -0.585621D+01  0.920198D+01 -0.873681D+01  0.806049D+02  0.206110D+02
      2   0.214577D+01 -0.196866D+02  0.128844D+02 -0.366114D+02 -0.288555D+01
      3   0.371044D+01  0.104846D+02 -0.414757D+01 -0.439934D+02 -0.177254D+02
      4  -0.663493D+01 -0.190153D+02  0.721965D+01  0.606739D+02  0.332597D+02
      5  -0.115183D+01  0.986541D+01 -0.181577D+02  0.452613D+02  0.161784D+02
      6  -0.203742D+01  0.820730D+01 -0.129947D+02  0.182163D+02  0.106495D+02
               291           292           293           294           295 
      1   0.185330D+02  0.928456D+01  0.821039D+01  0.164069D+01  0.160427D+02
      2  -0.110839D+02  0.120694D+01  0.580753D+00 -0.391507D+00 -0.107242D+02
      3  -0.744905D+01 -0.104915D+02 -0.879115D+01 -0.124918D+01 -0.531844D+01
      4   0.173541D+02  0.222393D+02  0.148211D+02  0.536559D+01  0.152923D+02
      5   0.226290D+02  0.730103D+01  0.639851D+01  0.515624D+01  0.231688D+02
      6   0.976139D+01  0.636087D+01  0.447714D+01  0.527820D+01  0.890845D+01
               296           297 
      1   0.278627D+01  0.702477D+01
      2  -0.187959D+01 -0.519521D+01
      3  -0.906682D+00 -0.182956D+01
      4   0.813838D+01  0.113199D+02
      5   0.104385D+02  0.148307D+02
      6   0.765414D+01  0.732160D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174498D+03      0.258579D+02      0.287708D+02
   aniso      0.862512D+02      0.127811D+02      0.142209D+02
   xx         0.229539D+03      0.340141D+02      0.378458D+02
   yx         0.101789D+02      0.150835D+01      0.167827D+01
   yy         0.145674D+03      0.215866D+02      0.240183D+02
   zx         0.345876D+01      0.512535D+00      0.570272D+00
   zy        -0.950565D+01     -0.140859D+01     -0.156727D+01
   zz         0.148281D+03      0.219730D+02      0.244483D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174498D+03      0.258579D+02      0.287708D+02
   aniso      0.862512D+02      0.127811D+02      0.142209D+02
   xx         0.200623D+03      0.297293D+02      0.330783D+02
   yx        -0.674217D+01     -0.999086D+00     -0.111163D+01
   yy         0.137322D+03      0.203490D+02      0.226413D+02
   zx        -0.366075D+02     -0.542467D+01     -0.603576D+01
   zy         0.908437D+00      0.134616D+00      0.149781D+00
   zz         0.185549D+03      0.274955D+02      0.305929D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-30\Freq\RB3LYP\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.868055,-1.025183,0.932371\C,-1.434107,-0.545371,-0.248
 073\C,0.458923,-0.767507,1.247518\C,1.261147,-0.015622,0.393477\C,0.70
 4012,0.460918,-0.791509\C,-0.622388,0.197168,-1.104326\C,-2.884143,-0.
 797677,-0.56093\C,-3.859347,0.079867,0.248474\C,-5.302322,-0.340915,-0
 .025297\C,-3.656246,1.566161,-0.03922\C,2.7047,0.290879,0.757917\C,3.6
 09551,-0.230826,-0.341871\O,4.016576,0.405594,-1.279125\O,3.899108,-1.
 541087,-0.173315\H,-1.472172,-1.614332,1.612565\H,0.878164,-1.15847,2.
 166794\H,1.314336,1.031987,-1.479725\H,-1.035819,0.574991,-2.031681\H,
 -3.119764,-1.8476,-0.364999\H,-3.064334,-0.629403,-1.626821\H,-3.64862
 8,-0.091406,1.31009\H,-5.462258,-1.394737,0.212636\H,-5.554412,-0.1948
 14,-1.079386\H,-6.00396,0.248931,0.567812\H,-4.340507,2.174366,0.55549
 3\H,-3.848256,1.78418,-1.093903\H,-2.638064,1.883648,0.187153\H,2.9435
 76,-0.269791,1.662471\C,2.939441,1.783706,0.996225\H,4.431862,-1.81406
 2,-0.936873\H,2.272779,2.139344,1.781775\H,2.744635,2.35384,0.089526\H
 ,3.970359,1.973688,1.298054\\Version=ES64L-G16RevA.03\State=1-A\HF=-65
 7.0243456\RMSD=9.559e-09\RMSF=2.727e-06\ZeroPoint=0.2841166\Thermal=0.
 2998202\Dipole=-0.4180876,-0.3414547,0.4506487\DipoleDeriv=-0.1392459,
 0.0538324,-0.042545,0.0558051,-0.0463898,-0.0644646,-0.1160892,-0.0899
 862,-0.0112945,0.3351901,0.0147886,0.0481161,0.0633625,-0.0760726,-0.0
 076934,0.0819587,-0.0139242,-0.0753899,-0.0846377,-0.014698,0.0507945,
 0.0226758,-0.0644868,-0.0819011,0.0321655,-0.0818993,0.0529961,0.27074
 05,0.0874859,0.0141233,0.1188883,-0.0812224,-0.028952,0.1288794,-0.007
 2637,-0.1069209,-0.0928825,0.0263866,-0.026831,0.0483051,-0.0699174,-0
 .0454303,-0.0427503,-0.0525839,-0.0228766,-0.1407346,-0.0005984,0.0480
 407,-0.0511012,-0.0749588,-0.0864174,0.0605888,-0.0658776,0.0527353,-0
 .0253958,-0.0005164,0.0245275,0.0872111,0.1149422,-0.0181754,0.1430533
 ,-0.0008375,0.1629104,0.1636996,0.0058744,-0.0127116,-0.1077085,0.1319
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 Life may have no meaning.  Or even worse, it may have a
 meaning of which I disapprove.
                                 -- Ashleigh Brilliant
 Job cpu time:       1 days  3 hours 58 minutes  4.6 seconds.
 Elapsed time:       0 days  3 hours 29 minutes 48.8 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 13:10:06 2021.
